ChemSpider 2D Image | 3-({[3-(4-Fluorophenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoic acid | C20H15FN4O4

3-({[3-(4-Fluorophenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoic acid

  • Molecular FormulaC20H15FN4O4
  • Average mass394.356 Da
  • Monoisotopic mass394.107727 Da
  • ChemSpider ID21796231

More details:

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

3-({[3-(4-Fluorophenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
3-({[3-(4-Fluorphenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
Acide 3-({[3-(4-fluorophényl)-5-oxo-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-oxopyrazolo[1,5-a]pyrimidin-7-yl]carbonyl]amino]- [ACD/Index Name]
1179464-23-3 [RN]
3-({[3-(4-fluorophenyl)-5-hydroxy-6,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)benzoic acid
3-(3-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxamido)benzoic acid
3-{[3-(4-Fluoro-phenyl)-5-hydroxy-6,7-dihydro-pyrazolo[1,5-a]pyrimidine-7-carbonyl]-amino}-benzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 788.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.3±3.0 kJ/mol
    Flash Point: 430.7±32.9 °C
    Index of Refraction: 1.714
    Molar Refractivity: 100.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.31
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 113 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 62.6±7.0 dyne/cm
    Molar Volume: 257.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement