ChemSpider 2D Image | 4-chloro-1H-pyrazole-3-carboxamide | C4H4ClN3O

4-chloro-1H-pyrazole-3-carboxamide

  • Molecular FormulaC4H4ClN3O
  • Average mass145.547 Da
  • Monoisotopic mass145.004288 Da
  • ChemSpider ID26457262

More details:

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

1H-Pyrazole-5-carboxamide, 4-chloro- [ACD/Index Name]
33064-37-8 [RN]
4-Chlor-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
4-chloro-1H-pyrazole-3-carboxamide
4-Chloro-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
4-Chloro-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
4-chloro-1H-pyrazole-5-carboxamide|1H-pyrazole-5-carboxamide, 4-chloro-
4-Chloro-2H-pyrazole-3-carboxylic acid amide
MFCD15146442 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 391.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.6±23.7 °C
    Index of Refraction: 1.630
    Molar Refractivity: 32.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.27
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.08
    ACD/LogD (pH 7.4): -0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.06
    Polar Surface Area: 72 Å2
    Polarizability: 12.9±0.5 10-24cm3
    Surface Tension: 76.9±3.0 dyne/cm
    Molar Volume: 91.6±3.0 cm3

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