ChemSpider 2D Image | Ethyl 5-cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylate | C12H10N4O2

Ethyl 5-cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC12H10N4O2
  • Average mass242.233 Da
  • Monoisotopic mass242.080383 Da
  • ChemSpider ID24745972

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(4-pyridinyl)-, ethyl ester [ACD/Index Name]
5-Cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
98476-15-4 [RN]
Ethyl 5-cyano-1-(4-pyridinyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-cyan-1-(4-pyridinyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-cyano-1-(4-pyridinyl)-1h-pyrazole-4-carboxylic acid ethyl ester
ethyl 5-cyano-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylate

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-17243]
    • Safety:

      20/21/22 Novochemy [NC-17243]
      20/21/36/37/39 Novochemy [NC-17243]
      GHS07; GHS09 Novochemy [NC-17243]
      H332; H403 Novochemy [NC-17243]
      P301+P310; P337+P313 Novochemy [NC-17243]
      Warning Novochemy [NC-17243]
      Xn Novochemy [NC-17243]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 452.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.5±27.3 °C
Index of Refraction: 1.626
Molar Refractivity: 66.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 79.50
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 79.52
Polar Surface Area: 81 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 188.7±7.0 cm3

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