4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 411577
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c(c(n[nH]1)c1ccccc1)C)C(=O)NC1(C(=O)NC)CCCCC1
• Canonical SMILES: CNC(=O)C1(CCCCC1)NC(=O)c1[nH]nc(c1C)c1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-13-15(14-9-5-3-6-10-14)22-23-16(13)17(24)21-19(18(25)20-2)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
• InChIKey: ODFRGPUMOZDGEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-5-phenyl-2H-pyrazole-3-carboxamide
• Synonyms: 4-methyl-N-{1-[(methylamino)carbonyl]cyclohexyl}-3-phenyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.761024
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.7403588
• LogD (pH = 7.4): 2.740194
• Log P: 2.7403789
• Molar Refractivity: 97.2609 cm^3
• Polarizability: 37.899853 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.21
• LOG S: -2.72
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4