2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1r,4r)-4-hydroxycyclohexyl]propanamide

• ChemBase ID: 640597
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: n1(nc(cc1C)C)C(C(=O)N[C@@H]1CC[C@H](CC1)O)C
• Canonical SMILES: CC(n1nc(cc1C)C)C(=O)N[C@@H]1CC[C@H](CC1)O
• InChI: InChI=1S/C14H23N3O2/c1-9-8-10(2)17(16-9)11(3)14(19)15-12-4-6-13(18)7-5-12/h8,11-13,18H,4-7H2,1-3H3,(H,15,19)/t11?,12-,13-
• InChIKey: XCUTYEHGEOEAHM-VLXSWZPNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1r,4r)-4-hydroxycyclohexyl]propanamide
• IUPAC Traditional name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(1r,4r)-4-hydroxycyclohexyl]propanamide
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(trans-4-hydroxycyclohexyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.939301
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6057149
• LogD (pH = 7.4): 0.60804063
• Log P: 0.6080704
• Molar Refractivity: 84.6837 cm^3
• Polarizability: 28.347656 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -3.39
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3