ChemSpider 2D Image | 1-(1-(tert-Butoxycarbonyl)azepan-4-yl)-1H-pyrazole-4-carboxylic acid | C15H23N3O4

1-(1-(tert-Butoxycarbonyl)azepan-4-yl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC15H23N3O4
  • Average mass309.361 Da
  • Monoisotopic mass309.168854 Da
  • ChemSpider ID29312989

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

1-(1-(tert-Butoxycarbonyl)azepan-4-yl)-1H-pyrazole-4-carboxylic acid
1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-azepanyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-azepanyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1361113-64-5 [RN]
1H-Azepine-1-carboxylic acid, 4-(4-carboxy-1H-pyrazol-1-yl)hexahydro-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-azépanyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-[1-(tert-butoxycarbonyl)azepan-4-yl]-1H-pyrazole-4-carboxylic acid
1-[1-(TERT-BUTOXYCARBONYL)AZEPAN-4-YL]PYRAZOLE-4-CARBOXYLIC ACID
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]pyrazole-4-carboxylic acid
1-{1-[(TERT-BUTOXY)CARBONYL]AZEPAN-4-YL}-1H-PYRAZOLE-4-CARBOXYLIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD03906887 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 482.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 245.7±25.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 81.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.03
    ACD/LogD (pH 5.5): 1.26
    ACD/BCF (pH 5.5): 2.55
    ACD/KOC (pH 5.5): 28.11
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 32.3±0.5 10-24cm3
    Surface Tension: 47.1±7.0 dyne/cm
    Molar Volume: 244.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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