ChemSpider 2D Image | Methyl 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate | C18H14F3N3O4S

Methyl 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate

  • Molecular FormulaC18H14F3N3O4S
  • Average mass425.382 Da
  • Monoisotopic mass425.065704 Da
  • ChemSpider ID11331246

More details:

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

4-[1-(4-Sulfamoylphényl)-3-(trifluorométhyl)-1H-pyrazol-5-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluormethyl)-1H-pyrazol-5-yl]benzoat [German] [ACD/IUPAC Name]
1189893-75-1 [RN]
Celecoxib Carboxylic Acid Methyl Ester
Celocoxib Carboxylic Acid Methyl Ester
methyl 4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoate
methyl 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 576.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.4±3.0 kJ/mol
    Flash Point: 302.6±32.9 °C
    Index of Refraction: 1.606
    Molar Refractivity: 98.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 93.56
    ACD/KOC (pH 5.5): 896.41
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 93.06
    ACD/KOC (pH 7.4): 891.61
    Polar Surface Area: 113 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 286.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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