N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-methoxybenzamide

• ChemBase ID: 635053
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCC1)NC(=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C21H28N4O2/c1-27-19-9-5-4-8-18(19)21(26)23-20-10-13-22-25(20)17-11-14-24(15-12-17)16-6-2-3-7-16/h4-5,8-10,13,16-17H,2-3,6-7,11-12,14-15H2,1H3,(H,23,26)
• InChIKey: SFUWDMXOLQMERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.291797
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.61467403
• LogD (pH = 7.4): 0.5383568
• Log P: 2.8061185
• Molar Refractivity: 118.0757 cm^3
• Polarizability: 40.66935 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.47
• LOG S: -4.82
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4