ChemSpider 2D Image | 4-{[1-(3,5-Difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-2-piperazinone | C18H15F2N5O2

4-{[1-(3,5-Difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-2-piperazinone

  • Molecular FormulaC18H15F2N5O2
  • Average mass371.341 Da
  • Monoisotopic mass371.119385 Da
  • ChemSpider ID27323116

More details:

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

2-Piperazinone, 4-[[1-(3,5-difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
4-{[1-(3,5-Difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-2-piperazinone [ACD/IUPAC Name]
4-{[1-(3,5-Difluorophényl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-2-pipérazinone [French] [ACD/IUPAC Name]
4-{[1-(3,5-Difluorphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-2-piperazinon [German] [ACD/IUPAC Name]
1246074-17-8 [RN]
4-[1-(3,5-Difluoro-phenyl)-5-pyrrol-1-yl-1H-pyrazole-4-carbonyl]-piperazin-2-one
4-[1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-2-one
4-{[1-(3,5-difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}piperazin-2-one

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 649.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.7±3.0 kJ/mol
    Flash Point: 346.4±31.5 °C
    Index of Refraction: 1.681
    Molar Refractivity: 94.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): 0.78
    ACD/BCF (pH 5.5): 2.32
    ACD/KOC (pH 5.5): 63.65
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 2.32
    ACD/KOC (pH 7.4): 63.65
    Polar Surface Area: 72 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 55.6±7.0 dyne/cm
    Molar Volume: 250.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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