1-Phenyl-2,3-dimethyl-4-(beta-(p-aminobenzoyl)ethyl)pyrazol-5-one

HCID 32375

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Basic information

CAS: 24428-98-6
Standard SMILES: Cc1c(CCC(=O)c2ccc(N)cc2)c(=O)n(-c2ccccc2)n1C
InChIKey: ROLHIPZCIYSBTB-UHFFFAOYSA-N
Molecular formula: C20H21N3O2
Average molar mass: 335.4 g/mol
Monoisotopic mass: 335.16337692

Names & identifiers

Preferred name: 1-Phenyl-2,3-dimethyl-4-(beta-(p-aminobenzoyl)ethyl)pyrazol-5-one
IUPAC: 4-[3-(4-aminophenyl)-3-oxopropyl]-1,5-dimethyl-2-phenylpyrazol-3-one

Names & synonyms

BRN 09320024-(2-(p-Aminobenzoyl)ethyl)antipyrineANTIPYRINE, 4-(2-(p-AMINOBENZOYL)ETHYL)-24428-98-61-Phenyl-2,3-dimethyl-4-(beta-(p-aminobenzoyl)ethyl)pyrazol-5-oneDTXSID801791874-[3-(4-aminophenyl)-3-oxopropyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Database identifiers

CAS: 24428-98-6
PubChem CID: 32375
DTXSID: DTXSID80179187

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 543

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