1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

HCID 176752

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Basic information

CAS: 98534-40-8
Standard SMILES: NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIKey: CRMKSYGNRJQTAK-UHFFFAOYSA-N
Molecular formula: C11H8F3N3O
Average molar mass: 255.2 g/mol
Monoisotopic mass: 255.06194637

Names & identifiers

Preferred name: 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
IUPAC: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Names & synonyms

1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide98534-40-81H-Pyrazole-4-carboxamide, 1-phenyl-5-(trifluoromethyl)-CHEMBL5085626SCHEMBL10364977DTXSID50243687CRMKSYGNRJQTAK-UHFFFAOYSA-N1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide

Database identifiers

CAS: 98534-40-8
PubChem CID: 176752
DTXSID: DTXSID50243687
ChEMBL: CHEMBL5085626

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 60.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 315

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