(2R)-2-cyclohexyl-N-ethyl-2-hydroxy-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 864862
• Molecular Formular: C15H25N3O2
• Molecular Mass: 279.3779
• Monoisotopic Mass: 279.19467706
• SMILES: C(=O)([C@@H](C1CCCCC1)O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)[C@@H](C1CCCCC1)O)CCn1cccn1
• InChI: InChI=1S/C15H25N3O2/c1-2-17(11-12-18-10-6-9-16-18)15(20)14(19)13-7-4-3-5-8-13/h6,9-10,13-14,19H,2-5,7-8,11-12H2,1H3/t14-/m1/s1
• InChIKey: JZWYGPPXVNWBKP-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-cyclohexyl-N-ethyl-2-hydroxy-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: (2R)-2-cyclohexyl-N-ethyl-2-hydroxy-N-[2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: (2R)-2-cyclohexyl-N-ethyl-2-hydroxy-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.929436
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5123116
• LogD (pH = 7.4): 1.5124413
• Log P: 1.5124443
• Molar Refractivity: 89.1928 cm^3
• Polarizability: 30.341372 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -2.65
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 6