ChemSpider 2D Image | Methyl N-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}glycinate | C17H15FN4O3

Methyl N-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}glycinate

  • Molecular FormulaC17H15FN4O3
  • Average mass342.324 Da
  • Monoisotopic mass342.112823 Da
  • ChemSpider ID27326285

More details:

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

Glycine, N-[[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}glycinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}glycinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorophényl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}glycinate de méthyle [French] [ACD/IUPAC Name]
{[1-(4-Fluoro-phenyl)-5-pyrrol-1-yl-1H-pyrazole-4-carbonyl]-amino}-acetic acid methyl ester
1223521-63-8 [RN]
methyl 2-[[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]acetate
METHYL 2-{[1-(4-FLUOROPHENYL)-5-(1H-PYRROL-1-YL)-1H-PYRAZOL-4-YL]FORMAMIDO}ACETATE
METHYL 2-{[1-(4-FLUOROPHENYL)-5-(PYRROL-1-YL)PYRAZOL-4-YL]FORMAMIDO}ACETATE

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 537.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 278.8±30.1 °C
    Index of Refraction: 1.625
    Molar Refractivity: 90.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 13.51
    ACD/KOC (pH 5.5): 224.15
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 10.46
    ACD/KOC (pH 7.4): 173.58
    Polar Surface Area: 78 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 49.9±7.0 dyne/cm
    Molar Volume: 254.8±7.0 cm3

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