Oxapyrine

HCID 197752

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Basic information

CAS: 2101-44-2
Standard SMILES: CNC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIKey: CCKAYJIIJQAPMP-UHFFFAOYSA-N
Molecular formula: C14H16N4O3
Average molar mass: 288.3 g/mol
Monoisotopic mass: 288.12224039

Overview

structure

Names & identifiers

Preferred name: Oxapyrine
IUPAC: N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyloxamide
English name: N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N'-methylethanediamide
Molecular formula: C14H16N4O3
Molecular weight: 288.3

Names & synonyms

Oxapyrine2101-44-2N-(4-antipyril)oxaminic acid methylamideRefChem:168839N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyloxamideSCHEMBL30410560DTXSID90943311Oxamide, N-antipyrinyl-N'-methyl-Ethanediamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N'-methyl-N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N'-methylethanediamideN~1~-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-methylethanediamideEthanediamide, N1-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N2-methyl-

Database identifiers

CAS: 2101-44-2
PubChem CID: 197752
DTXSID: DTXSID90943311
Nikkaji: J7.324E

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 81.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 494

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