N-(1-cyclohexyl-1H-pyrazol-5-yl)-2-(1H-imidazol-1-yl)acetamide

• ChemBase ID: 567735
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c1(n(ncc1)C1CCCCC1)NC(=O)Cn1cncc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCCCC1)Cn1cncc1
• InChI: InChI=1S/C14H19N5O/c20-14(10-18-9-8-15-11-18)17-13-6-7-16-19(13)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,17,20)
• InChIKey: QIPFPUXOXIKWND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.066719
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.78328097
• LogD (pH = 7.4): 1.2477844
• Log P: 1.3071587
• Molar Refractivity: 87.4423 cm^3
• Polarizability: 28.682806 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.31
• LOG S: -3.22
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4