N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide

HCID 794166

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Basic information

CAS: 13097-20-6
Standard SMILES: O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1
InChIKey: BHJKTBUGWNYLLO-UHFFFAOYSA-N
Molecular formula: C16H12ClN3O
Average molar mass: 297.74 g/mol
Monoisotopic mass: 297.0668897

Names & identifiers

Preferred name: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
IUPAC: N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide

Names & synonyms

13097-20-6N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamideN-(5-(4-Chlorophenyl)-1H-pyrazol-3-yl)benzamideCHEMBL159134Oprea1_077589Oprea1_459586DTXSID60355220BDBM50123731AG-690/11665673N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]benzamideN-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-benzamide

Database identifiers

CAS: 13097-20-6
PubChem CID: 794166
DTXSID: DTXSID60355220
ChEMBL: CHEMBL159134

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 351

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