N-(4-fluorophenyl)-4-[5-(4-methoxybenzamido)-1H-pyrazol-1-yl]piperidine-1-carboxamide

• ChemBase ID: 392151
• Molecular Formular: C23H24FN5O3
• Molecular Mass: 437.4667632
• Monoisotopic Mass: 437.18631787
• SMILES: c1(n(ncc1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1)NC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccnn1C1CCN(CC1)C(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C23H24FN5O3/c1-32-20-8-2-16(3-9-20)22(30)27-21-10-13-25-29(21)19-11-14-28(15-12-19)23(31)26-18-6-4-17(24)5-7-18/h2-10,13,19H,11-12,14-15H2,1H3,(H,26,31)(H,27,30)
• InChIKey: YOBGXLQYJUQBCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-4-[5-(4-methoxybenzamido)-1H-pyrazol-1-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-fluorophenyl)-4-[5-(4-methoxybenzamido)pyrazol-1-yl]piperidine-1-carboxamide
• Synonyms: N-(4-fluorophenyl)-4-{5-[(4-methoxybenzoyl)amino]-1H-pyrazol-1-yl}-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.461854
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7286415
• LogD (pH = 7.4): 2.7287107
• Log P: 2.7287118
• Molar Refractivity: 131.2819 cm^3
• Polarizability: 44.217937 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.24
• LOG S: -6.55
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 4