ChemSpider 2D Image | tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate | C12H19N3O2

tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate

  • Molecular FormulaC12H19N3O2
  • Average mass237.298 Da
  • Monoisotopic mass237.147720 Da
  • ChemSpider ID58178603

More details:

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

1860028-24-5 [RN]
1-Pyrrolidinecarboxylic acid, 2-(1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(1H-Pyrazol-4-yl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(1H-pyrazol-4-yl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(1H-pyrazol-4-yl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
95%
CC(C)(C)OC(=O)N1CCCC1C1=CNN=C1
MFCD30146431
t-Butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 391.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.7±25.9 °C
    Index of Refraction: 1.542
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 28.12
    ACD/KOC (pH 5.5): 378.65
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 28.24
    ACD/KOC (pH 7.4): 380.31
    Polar Surface Area: 58 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 202.7±3.0 cm3

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