N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide

• ChemBase ID: 751163
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: n1[nH]c(c(c1C)CCNC(=O)C1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: Cc1[nH]nc(c1CCNC(=O)C1(CCCCC1)N1CCCCC1)C
• InChI: InChI=1S/C19H32N4O/c1-15-17(16(2)22-21-15)9-12-20-18(24)19(10-5-3-6-11-19)23-13-7-4-8-14-23/h3-14H2,1-2H3,(H,20,24)(H,21,22)
• InChIKey: XERLVYJSNKRFSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-piperidin-1-ylcyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.044872
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6074186
• LogD (pH = 7.4): 0.9748967
• Log P: 2.61092
• Molar Refractivity: 98.7838 cm^3
• Polarizability: 37.716927 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.93
• LOG S: -4.13
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5