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Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

2D structure
UUID 194437e3-1aaf-4895-bc40-e27960e7a42e
Deprecated yes
Replaced By afd5a950-211a-4ff4-8161-3bf746515fae
Flow Object IDfo-b472a24157fc2843
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 152827-98-0
EC Numbers 412-600-3
prefLabel
Language Value Provenance
en Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester
altLabel ⓘ
Language Value Provenance
en 1<em>H</em>-Pyrazolo[1,5-<em>b</em>][1,2,4]triazole, butanoic acid deriv.
en Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester
en Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester
en Tetradecyl 3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate
References
Shared Properties
Predicate Value
InChIKey NBKRRHDJXJWXGO-UHFFFAOYSA-N
InChI InChI=1S/C32H48ClN5O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-41-27(40)22-21-26(39)34-25-19-17-24(18-20-25)30-35-31-28(33)29(32(2,3)4)36-38(31)37-30/h17-20,36H,5-16,21-23H2,1-4H3,(H,34,39)
IUPAC name 4-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-4-keto-butyric acid myristyl ester, 4-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-4-oxobutanoic acid tetradecyl ester, tetradecyl 4-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-4-oxo-butanoate, tetradecyl 4-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-4-oxobutanoate, tetradecyl 4-[[4-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate
Molecular formula C32H48ClN5O3
Molecular mass 586.221
Monoisotopic mass 585.344568
SMILES CCCCCCCCCCCCCCOC(=O)CCC(=O)NC1=CC=C(C=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl, CCCCCCCCCCCCCCOC(=O)CCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)[nH]n3n2)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 194437e3-1aaf-4895-bc40-e27960e7a42e tetradecyl 3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate
EF 3.1 194437e3-1aaf-4895-bc40-e27960e7a42e tetradecyl 3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate

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=tetradecyl3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=152827-98-0; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazolo[1,5-<em>b</em>][1,2,4]triazole, butanoic acid deriv., Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester, Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester; object_uuid=fo-b472a24157fc2843
cas_match_labels 1 — consensus_match group_key=tetradecyl3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'152827-98-0': []}; assigned CAS labels from group consensus; object_uuid=fo-b472a24157fc2843: {'152827-98-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1<em>H</em>-Pyrazolo[1,5-<em>b</em>][1,2,4]triazole, butanoic acid deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:152827-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=152827-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:152827-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=152827-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:152827-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=152827-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tetradecyl3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=152827-98-0; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazolo[1,5-<em>b</em>][1,2,4]triazole, butanoic acid deriv., Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester, Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester; object_uuid=fo-b472a24157fc2843
cas_match_labels None {'152827-98-0': 'exactMatch'} group_key=tetradecyl3-[(4-{6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'152827-98-0': []}; assigned CAS labels from group consensus; object_uuid=fo-b472a24157fc2843: {'152827-98-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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