ChemSpider 2D Image | Methyl 5-(tert-butyl)-1-phenyl-1H-pyrazole-4-carboxylate | C15H18N2O2

Methyl 5-(tert-butyl)-1-phenyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC15H18N2O2
  • Average mass258.316 Da
  • Monoisotopic mass258.136841 Da
  • ChemSpider ID28293789

More details:

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

1150164-50-3 [RN]
1H-Pyrazole-4-carboxylic acid, 5-(1,1-dimethylethyl)-1-phenyl-, methyl ester [ACD/Index Name]
5-(2-Méthyl-2-propanyl)-1-phényl-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(2-methyl-2-propanyl)-1-phenyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl 5-(tert-butyl)-1-phenyl-1H-pyrazole-4-carboxylate
Methyl-5-(2-methyl-2-propanyl)-1-phenyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1150164-50-3] [RN]
HC-2491
methyl 5-t-butyl-1-phenyl-1h-pyrazole-4-carboxylate
methyl 5-tert-butyl-1-phenyl-1H-pyrazole-4-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 375.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±3.0 kJ/mol
    Flash Point: 180.9±24.6 °C
    Index of Refraction: 1.548
    Molar Refractivity: 75.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.20
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 865.46
    ACD/KOC (pH 5.5): 4406.36
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 865.46
    ACD/KOC (pH 7.4): 4406.36
    Polar Surface Area: 44 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 37.0±7.0 dyne/cm
    Molar Volume: 238.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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