ChemSpider 2D Image | 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid | C13H19N3O4

5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

  • Molecular FormulaC13H19N3O4
  • Average mass281.308 Da
  • Monoisotopic mass281.137543 Da
  • ChemSpider ID26231633

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylic acid, 7,8-dihydro-, 5-(1,1-dimethylethyl) ester [ACD/Index Name]
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-carbonsäure [German] [ACD/IUPAC Name]
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine-2-carboxylique [French] [ACD/IUPAC Name]
1355170-97-6 [RN]
5-(tert-butoxycarbonyl)-4H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-[(t-Butoxy)carbonyl]-4H,5h,6h,7h,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-[(tert-butoxy)carbonyl]-4h,5h,6h,7h,8h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 478.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±3.0 kJ/mol
    Flash Point: 243.3±27.3 °C
    Index of Refraction: 1.596
    Molar Refractivity: 72.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): -0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.77
    ACD/LogD (pH 7.4): -1.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 49.5±7.0 dyne/cm
    Molar Volume: 212.3±7.0 cm3

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