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4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid

UUID 0120d7fd-ae65-4ed2-ac95-1419fc81224a
Flow Object IDfo-7f10cd29db90b8d8
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 89-36-1
EC Numbers 201-901-3
prefLabel
Language Value Provenance
en 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
altLabel ⓘ
Language Value Provenance
en 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid
en 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one
en 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
en 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one
en 3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one
en 3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid
en 4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
en 4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid
en <em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
en Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-
en Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
en NSC 26429
en NSC 4752
en Pyrazoline G
en 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
IUPAC name 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid, 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid
Molecular formula C10H10N2O4S
Molecular mass 254.267
Monoisotopic mass 254.03613
SMILES CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O, CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0120d7fd-ae65-4ed2-ac95-1419fc81224a 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid Emissions/Emissions to soil/Emissions to soil, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=89-36-1; added Common Chemistry CAS names as altLabel: 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one, 3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone, 3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid, 4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid, <em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-, Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, NSC 26429, NSC 4752, Pyrazoline G; object_uuid=fo-7f10cd29db90b8d8
cas_match_labels 1 — consensus_match group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-36-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f10cd29db90b8d8: {'89-36-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_192663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_192663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 26429', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4752', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrazoline G', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=89-36-1; added Common Chemistry CAS names as altLabel: 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one, 3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone, 3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid, 4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid, <em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-, Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, NSC 26429, NSC 4752, Pyrazoline G; object_uuid=fo-7f10cd29db90b8d8
cas_match_labels None {'89-36-1': 'exactMatch'} group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-36-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f10cd29db90b8d8: {'89-36-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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