N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]benzamide

• ChemBase ID: 542232
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCC1)NC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Nc1ccnn1C1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H26N4O/c25-20(16-6-2-1-3-7-16)22-19-10-13-21-24(19)18-11-14-23(15-12-18)17-8-4-5-9-17/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14-15H2,(H,22,25)
• InChIKey: MADCSDKVIPKYFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]benzamide
• IUPAC Traditional name: N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]benzamide
• Synonyms: N-[1-(1-cyclopentyl-4-piperidinyl)-1H-pyrazol-5-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.146108
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.45702142
• LogD (pH = 7.4): 0.6959269
• Log P: 2.9637897
• Molar Refractivity: 111.6125 cm^3
• Polarizability: 38.1512 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.44
• LOG S: -4.85
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4