ChemSpider 2D Image | 3-butyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-one | C13H15FN2O

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

  • Molecular FormulaC13H15FN2O
  • Average mass234.269 Da
  • Monoisotopic mass234.116837 Da
  • ChemSpider ID29807920

More details:

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

1354939-38-0 [RN]
3-butyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-one
3H-Pyrazol-3-one, 5-butyl-2-(4-fluorophenyl)-2,4-dihydro- [ACD/Index Name]
5-Butyl-2-(4-fluorophenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Butyl-2-(4-fluorophényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
5-Butyl-2-(4-fluorphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5(4H)-one
5-butyl-2-(4-fluorophenyl)-4H-pyrazol-3-one
atoms 17 bonds 18
MFCD21334928

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 383.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 185.9±23.2 °C
    Index of Refraction: 1.564
    Molar Refractivity: 64.9±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 47.22
    ACD/KOC (pH 5.5): 549.32
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.27
    ACD/KOC (pH 7.4): 549.86
    Polar Surface Area: 33 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 39.0±7.0 dyne/cm
    Molar Volume: 199.7±7.0 cm3

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