ChemSpider 2D Image | Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate | C13H15N3O2

Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC13H15N3O2
  • Average mass245.277 Da
  • Monoisotopic mass245.116425 Da
  • ChemSpider ID24745931

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-amino-1-(4-methylphenyl)-, ethyl ester [ACD/Index Name]
5-Amino-1-(4-méthylphényl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(4-methylphenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
5-amino-1-(4-methylphenyl)-1h-pyrazole-3-carboxylic acid ethyl ester
5-Amino-1-p-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
866837-98-1 [RN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-15931]
    • Safety:

      20/21/22 Novochemy [NC-15931]
      20/21/36/37/39 Novochemy [NC-15931]
      GHS07; GHS09 Novochemy [NC-15931]
      H332; H403 Novochemy [NC-15931]
      P332+P313; P305+P351+P338 Novochemy [NC-15931]
      Warning Novochemy [NC-15931]
      Xn Novochemy [NC-15931]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.3±25.9 °C
Index of Refraction: 1.600
Molar Refractivity: 68.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.63
ACD/KOC (pH 5.5): 384.08
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.63
ACD/KOC (pH 7.4): 384.10
Polar Surface Area: 70 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 199.2±7.0 cm3

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