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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15967
CHEMBL15967
Compound Name PYRAZOLE
ChEMBL Synonyms 1H-Pyrazole | Pyrazole
Max Phase 0
Trade Names
Molecular Formula C3H4N2

Additional synonyms for CHEMBL15967 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cn[nH]c1
Standard InChI InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Standard InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15967

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
68.1 68.0374 0.41 0 28.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.83 .36 .36 1 5 0.47

Structural Alerts

There are no structural alerts for CHEMBL15967

Compound Cross References

ChemSpider ChemSpider:WTKZEGDFNFYCGP-UHFFFAOYSA-N
PubChem SID: 99139
Wikipedia Pyrazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15967



ACToR 116421-36-4
BindingDB 50390969
Brenda 1078
ChEBI 17241
ChemicalBook CB6689669
DrugBank DB02757
eMolecules 531205
EPA CompTox Dashboard DTXSID2059774
FDA SRS 3QD5KJZ7ZJ
IBM Patent System B4DBE924C7158B4544252AC1D224CD94 82D56343251D897C939B968BF65AB89C 6BE2F22AFA139C3101235B8964071B78
KEGG Ligand C00481
Mcule MCULE-9342475145
MolPort MolPort-000-165-803
Nikkaji J5.452F
NMRShiftDB 10016221
PDBe PZO
PubChem 1048
PubChem: Thomson Pharma 15170336
Rhea 17241
SureChEMBL SCHEMBL1384
ZINC ZINC000000895257

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WTKZEGDFNFYCGP-UHFFFAOYSA-N spacer
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