Summary

IMPPAT Phytochemical identifier: IMPHY015920

Phytochemical name: Pyrazole

Synonymous chemical names:
pyrazole

External chemical identifiers:
CID:1048, ChEMBL:CHEMBL15967, ChEBI:17241, ZINC:ZINC000000895257, FDASRS:3QD5KJZ7ZJ, SureChEMBL:SCHEMBL1384, MolPort-000-165-803

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Chemical structure information

SMILES:
c1ccn[nH]1

InChI:
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

InChIKey:
WTKZEGDFNFYCGP-UHFFFAOYSA-N

DeepSMILES:
cccn[nH]5

Functional groups:
cn[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cn[nH]c1

Scaffold Graph/Node level:
C1CNNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Pyrazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.275

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Chemical structure download