ChemSpider 2D Image | 2-(2-(1H-Pyrazol-4-yl)ethyl)isoindoline-1,3-dione | C13H11N3O2

2-(2-(1H-Pyrazol-4-yl)ethyl)isoindoline-1,3-dione

  • Molecular FormulaC13H11N3O2
  • Average mass241.245 Da
  • Monoisotopic mass241.085129 Da
  • ChemSpider ID26457348

More details:

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

1195687-62-7 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-pyrazol-4-yl)ethyl]- [ACD/Index Name]
2-(2-(1H-Pyrazol-4-yl)ethyl)isoindoline-1,3-dione
2-[2-(1H-Pyrazol-4-yl)ethyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(1H-Pyrazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[2-(1H-Pyrazol-4-yl)éthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-isoindole-1,3(2H)-dione, 2-[2-(1H-pyrazol-4-yl)ethyl]
2-(2-pyrazol-4-ylethyl)benzo[c]azoline-1,3-dione
2-[2-(1H-pyrazol-4-yl)ethyl]isoindole-1,3-dione
AKOS005174372
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 476.2±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 241.8±24.0 °C
    Index of Refraction: 1.664
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.30
    ACD/KOC (pH 5.5): 171.38
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.35
    ACD/KOC (pH 7.4): 172.40
    Polar Surface Area: 66 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 70.8±3.0 dyne/cm
    Molar Volume: 172.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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