N-{1-[1-(3-cyclopentylpropyl)piperidin-4-yl]-1H-pyrazol-5-yl}-3-phenylpropanamide

• ChemBase ID: 321549
• Molecular Formular: C25H36N4O
• Molecular Mass: 408.57954
• Monoisotopic Mass: 408.28891179
• SMILES: c1(n(ncc1)C1CCN(CC1)CCCC1CCCC1)NC(=O)CCc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)CCCC1CCCC1)CCc1ccccc1
• InChI: InChI=1S/C25H36N4O/c30-25(13-12-22-7-2-1-3-8-22)27-24-14-17-26-29(24)23-15-19-28(20-16-23)18-6-11-21-9-4-5-10-21/h1-3,7-8,14,17,21,23H,4-6,9-13,15-16,18-20H2,(H,27,30)
• InChIKey: MZORCDNVNRTEGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(3-cyclopentylpropyl)piperidin-4-yl]-1H-pyrazol-5-yl}-3-phenylpropanamide
• IUPAC Traditional name: N-{2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl}-3-phenylpropanamide
• Synonyms: N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.518076
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1522496
• LogD (pH = 7.4): 2.5001407
• Log P: 4.51472
• Molar Refractivity: 134.2747 cm^3
• Polarizability: 47.39436 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.82
• LOG S: -6.94
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 9