N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-5-phenylpentanamide

• ChemBase ID: 621340
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c1(c(n(nc1)c1ccccc1)C)C(NC(=O)CCCCc1ccccc1)C
• Canonical SMILES: O=C(NC(c1cnn(c1C)c1ccccc1)C)CCCCc1ccccc1
• InChI: InChI=1S/C23H27N3O/c1-18(22-17-24-26(19(22)2)21-14-7-4-8-15-21)25-23(27)16-10-9-13-20-11-5-3-6-12-20/h3-8,11-12,14-15,17-18H,9-10,13,16H2,1-2H3,(H,25,27)
• InChIKey: MJWIUFGDHOTXCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-5-phenylpentanamide
• IUPAC Traditional name: N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenylpentanamide
• Synonyms: N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-5-phenylpentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.710761
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.7877674
• LogD (pH = 7.4): 4.7878604
• Log P: 4.7878613
• Molar Refractivity: 110.4303 cm^3
• Polarizability: 42.824913 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.54
• LOG S: -6.52
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 8