N-(3-ethyl-4-methyl-1-phenyl-1H-pyrazol-5-yl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 521674
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(n(nc(c1C)CC)c1ccccc1)NC(=O)c1c(=O)[nH]c(cc1)C
• Canonical SMILES: CCc1nn(c(c1C)NC(=O)c1ccc([nH]c1=O)C)c1ccccc1
• InChI: InChI=1S/C19H20N4O2/c1-4-16-13(3)17(23(22-16)14-8-6-5-7-9-14)21-19(25)15-11-10-12(2)20-18(15)24/h5-11H,4H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: YJRBZQMXJLYPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethyl-4-methyl-1-phenyl-1H-pyrazol-5-yl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(5-ethyl-4-methyl-2-phenylpyrazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(3-ethyl-4-methyl-1-phenyl-1H-pyrazol-5-yl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.244858
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7607367
• LogD (pH = 7.4): 2.7608593
• Log P: 2.7609165
• Molar Refractivity: 100.0906 cm^3
• Polarizability: 36.8569 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.53
• LOG S: -2.96
• Polar Surface Area: 79.78 Å^2
• Rotatable Bonds: 4