N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-3-cyclopropylpropanamide

• ChemBase ID: 337265
• Molecular Formular: C16H25N3O
• Molecular Mass: 275.3892
• Monoisotopic Mass: 275.19976244
• SMILES: c1(n(nc(c1)C)C1CCCCC1)NC(=O)CCC1CC1
• Canonical SMILES: O=C(Nc1cc(nn1C1CCCCC1)C)CCC1CC1
• InChI: InChI=1S/C16H25N3O/c1-12-11-15(17-16(20)10-9-13-7-8-13)19(18-12)14-5-3-2-4-6-14/h11,13-14H,2-10H2,1H3,(H,17,20)
• InChIKey: ZQGSOTRMBNYTBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-3-cyclopropylpropanamide
• IUPAC Traditional name: N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-cyclopropylpropanamide
• Synonyms: N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-3-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.515416
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0711093
• LogD (pH = 7.4): 3.0717063
• Log P: 3.0717144
• Molar Refractivity: 91.2587 cm^3
• Polarizability: 30.655872 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.48
• LOG S: -4.18
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5