ChemSpider 2D Image | Ethyl 1-(5-methyl-2-pyridinyl)-1H-pyrazole-3-carboxylate | C12H13N3O2

Ethyl 1-(5-methyl-2-pyridinyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H13N3O2
  • Average mass231.251 Da
  • Monoisotopic mass231.100784 Da
  • ChemSpider ID28638222

More details:

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

1-(5-Méthyl-2-pyridinyl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1429309-43-2 [RN]
1H-Pyrazole-3-carboxylic acid, 1-(5-methyl-2-pyridinyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(5-methyl-2-pyridinyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl 1-(5-methylpyridin-2-yl)-1H-pyrazole-3-carboxylate
Ethyl-1-(5-methyl-2-pyridinyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 1-(5-methyl-2-pyridyl)pyrazole-3-carboxylate
ethyl 1-(5-methylpyridin-2-yl)pyrazole-3-carboxylate
MFCD22690740 [MDL number]

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

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 367.3±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 175.9±25.1 °C
    Index of Refraction: 1.592
    Molar Refractivity: 64.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.83
    ACD/KOC (pH 5.5): 284.52
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.83
    ACD/KOC (pH 7.4): 284.53
    Polar Surface Area: 57 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 191.0±7.0 cm3

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