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

• ChemBase ID: 499083
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: c1(n(ncc1)C1CCN(C(=O)C2CC2)CC1)NC(=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H24N4O3/c1-27-17-5-3-2-4-16(17)19(25)22-18-8-11-21-24(18)15-9-12-23(13-10-15)20(26)14-6-7-14/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3,(H,22,25)
• InChIKey: LGNYXMXEGFLGMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopropanecarbonylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-methoxybenzamide
• IUPAC Traditional name: N-[2-(1-cyclopropanecarbonylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
• Synonyms: N-{1-[1-(cyclopropylcarbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.291686
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.458037
• LogD (pH = 7.4): 1.4581057
• Log P: 1.4581071
• Molar Refractivity: 113.3329 cm^3
• Polarizability: 38.61193 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -3.03
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5