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

• ChemBase ID: 593398
• Molecular Formular: C15H23N3O
• Molecular Mass: 261.36262
• Monoisotopic Mass: 261.18411237
• SMILES: c1(n(ncc1)C1CCCCC1)NC(=O)CCC1CC1
• Canonical SMILES: O=C(Nc1ccnn1C1CCCCC1)CCC1CC1
• InChI: InChI=1S/C15H23N3O/c19-15(9-8-12-6-7-12)17-14-10-11-16-18(14)13-4-2-1-3-5-13/h10-13H,1-9H2,(H,17,19)
• InChIKey: KHMMODOVKRZXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 86.6672 cm^3
• Polarizability: 28.895302 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.526532
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9402692
• LogD (pH = 7.4): 2.940343
• Log P: 2.940344

供应商提供(Chembridge)

• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 3.22
• LOG S: -3.85