Consensus flow list

Identity

Type
NeutralMolecule
CAS
288-13-1
EC
206-017-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1h-pyrazole

Alternative labels

5

Properties

PropertyValue
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

24

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-92b575a87a6238a5",
  "prefLabel": [
    {
      "@value": "1h-pyrazole",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Diazole",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Azapyrrole",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hpz",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PYRAZOLE",
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