2-(3-{3-[4-(piperidine-1-carbonyl)phenyl]phenyl}-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 601448
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: n1n(CC(=O)N)ccc1c1cc(c2ccc(C(=O)N3CCCCC3)cc2)ccc1
• Canonical SMILES: NC(=O)Cn1ccc(n1)c1cccc(c1)c1ccc(cc1)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H24N4O2/c24-22(28)16-27-14-11-21(25-27)20-6-4-5-19(15-20)17-7-9-18(10-8-17)23(29)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13,16H2,(H2,24,28)
• InChIKey: NYUPZAHMGXXVIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{3-[4-(piperidine-1-carbonyl)phenyl]phenyl}-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: 2-(3-{3-[4-(piperidine-1-carbonyl)phenyl]phenyl}pyrazol-1-yl)acetamide
• Synonyms: 2-{3-[4'-(1-piperidinylcarbonyl)-3-biphenylyl]-1H-pyrazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.965701
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9007123
• LogD (pH = 7.4): 2.900805
• Log P: 2.9008062
• Molar Refractivity: 123.7824 cm^3
• Polarizability: 45.26512 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -4.37
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5