N-(1-cyclohexyl-1H-pyrazol-5-yl)-2-cyclopropylacetamide

• ChemBase ID: 697776
• Molecular Formular: C14H21N3O
• Molecular Mass: 247.33604
• Monoisotopic Mass: 247.16846231
• SMILES: c1(n(ncc1)C1CCCCC1)NC(=O)CC1CC1
• Canonical SMILES: O=C(Nc1ccnn1C1CCCCC1)CC1CC1
• InChI: InChI=1S/C14H21N3O/c18-14(10-11-6-7-11)16-13-8-9-15-17(13)12-4-2-1-3-5-12/h8-9,11-12H,1-7,10H2,(H,16,18)
• InChIKey: AJCMSAKOEMZWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.519946
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4957006
• LogD (pH = 7.4): 2.4957743
• Log P: 2.4957755
• Molar Refractivity: 82.0662 cm^3
• Polarizability: 27.055588 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.69
• LOG S: -3.3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4