ChemSpider 2D Image | 3-ethyl-1-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-one | C11H11FN2O

3-ethyl-1-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-one

  • Molecular FormulaC11H11FN2O
  • Average mass206.216 Da
  • Monoisotopic mass206.085541 Da
  • ChemSpider ID29807911

More details:

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

1251129-29-9 [RN]
3-ethyl-1-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-one
3H-Pyrazol-3-one, 5-ethyl-2-(3-fluorophenyl)-2,4-dihydro- [ACD/Index Name]
5-Ethyl-2-(3-fluorophenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Éthyl-2-(3-fluorophényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
5-Ethyl-2-(3-fluorphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3-Ethyl-1-(3-fluorophenyl)-1H-pyrazol-5(4H)-one
5-ethyl-2-(3-fluorophenyl)-4H-pyrazol-3-one
atoms 15 bonds 16
MFCD14690585

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 358.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.8±23.2 °C
    Index of Refraction: 1.579
    Molar Refractivity: 55.7±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 7.22
    ACD/KOC (pH 5.5): 143.26
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.22
    ACD/KOC (pH 7.4): 143.32
    Polar Surface Area: 33 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 40.2±7.0 dyne/cm
    Molar Volume: 167.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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