ChemSpider 2D Image | 1-(tert-Butyl)-5-phenyl-1H-pyrazole | C13H16N2

1-(tert-Butyl)-5-phenyl-1H-pyrazole

  • Molecular FormulaC13H16N2
  • Average mass200.279 Da
  • Monoisotopic mass200.131348 Da
  • ChemSpider ID26563087

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

1-(2-Methyl-2-propanyl)-5-phenyl-1H-pyrazol [German] [ACD/IUPAC Name]
1-(2-Methyl-2-propanyl)-5-phenyl-1H-pyrazole [ACD/IUPAC Name]
1-(2-Méthyl-2-propanyl)-5-phényl-1H-pyrazole [French] [ACD/IUPAC Name]
1-(tert-Butyl)-5-phenyl-1H-pyrazole
1204355-48-5 [RN]
1H-Pyrazole, 1-(1,1-dimethylethyl)-5-phenyl- [ACD/Index Name]
(4-cyanophenyl)-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid;4-Cyanophenylboronic Acid Pinacol Ester
1-t-Butyl-5-phenyl-1H-pyrazole
1-tert-butyl-5-phenyl-1H-pyrazole
1-tert-butyl-5-phenylpyrazole
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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: 1.0±0.1 g/cm3
    Boiling Point: 309.5±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 141.0±19.3 °C
    Index of Refraction: 1.546
    Molar Refractivity: 64.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 370.84
    ACD/KOC (pH 5.5): 2402.02
    ACD/LogD (pH 7.4): 3.68
    ACD/BCF (pH 7.4): 371.01
    ACD/KOC (pH 7.4): 2403.07
    Polar Surface Area: 18 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 34.7±7.0 dyne/cm
    Molar Volume: 203.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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