4-(C,N-diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one
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Basic information
- Standard SMILES
O=c1c(C(=Nc2ccccc2)c2ccccc2)c[nH]n1-c1ccccc1- InChIKey
DFRCUBWXXIUGOS-UHFFFAOYSA-N- Molecular formula
- C22H17N3O
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.13716217
Names & identifiers
- Preferred name
- 4-(C,N-diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one
- IUPAC
- 4-(C,N-diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one
Names & synonyms
NSC619160CHEMBL1969689NSC-619160NCI60_005697
Database identifiers
- PubChem CID
- 358967
- ChEMBL
CHEMBL1969689
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 550
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Compound notes
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