N-[1-(1-cyclohexylpiperidin-4-yl)-1H-pyrazol-5-yl]-2,2-dimethylpropanamide

• ChemBase ID: 604914
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCCC1)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccnn1C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C19H32N4O/c1-19(2,3)18(24)21-17-9-12-20-23(17)16-10-13-22(14-11-16)15-7-5-4-6-8-15/h9,12,15-16H,4-8,10-11,13-14H2,1-3H3,(H,21,24)
• InChIKey: DNYIKZLOOJRLAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclohexylpiperidin-4-yl)-1H-pyrazol-5-yl]-2,2-dimethylpropanamide
• IUPAC Traditional name: N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide
• Synonyms: N-[1-(1-cyclohexyl-4-piperidinyl)-1H-pyrazol-5-yl]-2,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.378602
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.0979074
• LogD (pH = 7.4): 0.87857515
• Log P: 3.3537204
• Molar Refractivity: 109.2454 cm^3
• Polarizability: 37.78753 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: 2.75
• LOG S: -4.83
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4