ChemSpider 2D Image | 1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanone | C14H16N2O

1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanone

  • Molecular FormulaC14H16N2O
  • Average mass228.290 Da
  • Monoisotopic mass228.126266 Da
  • ChemSpider ID22484577

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanon [German] [ACD/IUPAC Name]
1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanone [ACD/IUPAC Name]
1-(1-Benzyl-3,5-diméthyl-1H-pyrazol-4-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
[40570-80-7] [RN]
1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-one
1-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-ethanone
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)ethanone
392233-77-1 [RN]
40570-80-7 [RN]
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 377.1±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 181.9±24.6 °C
    Index of Refraction: 1.570
    Molar Refractivity: 69.3±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 71.28
    ACD/KOC (pH 5.5): 737.84
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 71.28
    ACD/KOC (pH 7.4): 737.85
    Polar Surface Area: 35 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 37.4±7.0 dyne/cm
    Molar Volume: 211.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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