1h-pyrazole
fo-92b575a87a6238a5
Identity
- Type
- Neutral molecule
- CAS
- 288-13-1
- EC
- 206-017-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- 1,2-Diazole
- 1H-Pyrazol
- 2-Azapyrrole
- Hpz
- PYRAZOLE
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) |
| IUPAC name chemrof:IUPAC_name | 1h-pyrazole |
| Molecular formula chemrof:molecular_formula | C3H4N2 |
| Molecular mass chemrof:molecular_mass | 68.079 |
| Monoisotopic mass chemrof:monoisotopic_mass | 68.037448, 68.03745 |
| SMILES string chemrof:smiles_string | c1cn[nH]c1 |
Known URLs
24Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=105809-46-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=288-13-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17241 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.471 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2059774 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02757 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02757 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=45410 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15967 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1360 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3QD5KJZ7ZJ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256947 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.452F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00481 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00481 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50831 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C45670 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:PZO | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL15967 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/1048 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=069154 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:103775 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q408908 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Pyrazole | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 038fc39c-b78d-482d-9b17-18ea3d22d68f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 41d3c02d-3dd6-4511-a44d-8c9f22585b1b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 471b567f-ddf0-4693-b7ce-68a208aa18b6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c607588c-1074-4a64-895f-7e2cecd2d3fc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 00b64be7-5f2b-402b-9900-8677c9d65370 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3fe766aa-cc6b-40a0-8c98-102890b110c5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 904f5b3e-9877-462b-81ff-292c8e73ed31 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3bab356e-a02f-444d-b778-bd14a99b1235 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b60db2b9-3534-40b2-8af1-3ffc0dc9a117 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 84b4d0f1-3782-49dc-bd92-5329ecf6f8f2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a8bd2ca9-fc8d-4498-a698-a728deab17c5 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 95373cd1-ca99-4933-86a7-4274c6dbc690 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7f83f35e-35f9-45dc-bdeb-4e86bd9e268b | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works