ChemSpider 2D Image | 1-(2-Propyn-1-yl)-3-(3-pyridinyl)-1H-pyrazole-4-carbonitrile | C12H8N4

1-(2-Propyn-1-yl)-3-(3-pyridinyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC12H8N4
  • Average mass208.219 Da
  • Monoisotopic mass208.074890 Da
  • ChemSpider ID53621013

More details:

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

1-(2-Propin-1-yl)-3-(3-pyridinyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(2-Propyn-1-yl)-3-(3-pyridinyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-(2-Propyn-1-yl)-3-(3-pyridinyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-(2-propyn-1-yl)-3-(3-pyridinyl)- [ACD/Index Name]
1-(prop-2-yn-1-yl)-3-(pyridin-3-yl)-1H-pyrazole-4-carbonitrile
2098082-89-2 [RN]
MFCD30009016

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 424.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.9±3.0 kJ/mol
    Flash Point: 210.5±28.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 64.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 4.32
    ACD/KOC (pH 5.5): 99.10
    ACD/LogD (pH 7.4): 1.14
    ACD/BCF (pH 7.4): 4.32
    ACD/KOC (pH 7.4): 99.21
    Polar Surface Area: 55 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 45.9±7.0 dyne/cm
    Molar Volume: 184.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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