ChemSpider 2D Image | Methyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate | C11H10ClN3O2

Methyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC11H10ClN3O2
  • Average mass251.669 Da
  • Monoisotopic mass251.046158 Da
  • ChemSpider ID23376065

More details:

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

121716-21-0 [RN]
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, methyl ester [ACD/Index Name]
5-Amino-1-(4-chlorophényl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-amino-1-(4-chlorphenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
AKOS005207583
atoms 17 bonds 18
F2135-0894
L-2665
MCULE-7352504852
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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: 398.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.5±25.1 °C
    Index of Refraction: 1.638
    Molar Refractivity: 63.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 3.10
    ACD/BCF (pH 5.5): 132.57
    ACD/KOC (pH 5.5): 1150.39
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 132.57
    ACD/KOC (pH 7.4): 1150.41
    Polar Surface Area: 70 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 52.4±7.0 dyne/cm
    Molar Volume: 177.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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