ChemSpider 2D Image | 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid | C12H17N3O4

5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

  • Molecular FormulaC12H17N3O4
  • Average mass267.281 Da
  • Monoisotopic mass267.121918 Da
  • ChemSpider ID28190224

More details:

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

1280214-48-3 [RN]
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-carbonsäure [German] [ACD/IUPAC Name]
5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazine-3-carboxylique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrazine-3,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester [ACD/Index Name]
1209492-73-8 [RN]
5-((benzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylicacid
5-(t-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid(wx141189)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 454.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 228.8±28.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 67.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.61
    ACD/LogD (pH 7.4): -1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 196.2±7.0 cm3

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