ChemSpider 2D Image | 4-[4-(Adamantan-2-ylcarbamoyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-1-yl]benzoic acid | C25H31N3O3

4-[4-(Adamantan-2-ylcarbamoyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-1-yl]benzoic acid

  • Molecular FormulaC25H31N3O3
  • Average mass421.532 Da
  • Monoisotopic mass421.236542 Da
  • ChemSpider ID28667757

More details:

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

4-[4-(Adamantan-2-ylcarbamoyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[4-(Adamantan-2-ylcarbamoyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[4-(adamantan-2-ylcarbamoyl)-5-(2-méthyl-2-propanyl)-1H-pyrazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-(1,1-dimethylethyl)-4-[(tricyclo[3.3.1.13,7]dec-2-ylamino)carbonyl]-1H-pyrazol-1-yl]- [ACD/Index Name]
1048668-70-7 [RN]
4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid
4-[4-(2-Adamantylcarbamoyl)-5-Tert-Butyl-Pyrazol-1-Yl]benzoic Acid
AZD 8329
AZD 8329|AZD-8329
AZD8329
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 620.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.7±3.0 kJ/mol
    Flash Point: 329.1±30.1 °C
    Index of Refraction: 1.692
    Molar Refractivity: 117.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.44
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 18.01
    ACD/KOC (pH 5.5): 57.68
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 3.32
    ACD/KOC (pH 7.4): 10.63
    Polar Surface Area: 84 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 307.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement