ChemSpider 2D Image | Methyl 3-(3-hydroxyphenyl)-3-[3-oxo-5-(2,4,5-trifluorobenzyl)-2,3-dihydro-1H-pyrazol-4-yl]propanoate | C20H17F3N2O4

Methyl 3-(3-hydroxyphenyl)-3-[3-oxo-5-(2,4,5-trifluorobenzyl)-2,3-dihydro-1H-pyrazol-4-yl]propanoate

  • Molecular FormulaC20H17F3N2O4
  • Average mass406.355 Da
  • Monoisotopic mass406.114044 Da
  • ChemSpider ID30720824

More details:

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

1H-Pyrazole-4-propanoic acid, 2,3-dihydro-β-(3-hydroxyphenyl)-3-oxo-5-[(2,4,5-trifluorophenyl)methyl]-, methyl ester [ACD/Index Name]
3-(3-Hydroxyphényl)-3-[3-oxo-5-(2,4,5-trifluorobenzyl)-2,3-dihydro-1H-pyrazol-4-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxyphenyl)-3-[3-oxo-5-(2,4,5-trifluorobenzyl)-2,3-dihydro-1H-pyrazol-4-yl]propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxyphenyl)-3-[3-oxo-5-(2,4,5-trifluorbenzyl)-2,3-dihydro-1H-pyrazol-4-yl]propanoat [German] [ACD/IUPAC Name]
1574529-72-8 [RN]
methyl 3-(3-hydroxyphenyl)-3-(3-oxo-5-(2,4,5-trifluorobenzyl)-2,3-dihydro-1H-pyrazol-4-yl)propanoate
methyl 3-(3-hydroxyphenyl)-3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]propanoate
methyl 3-(3-hydroxyphenyl)-3-[3-oxo-5-[(2,4,5-trifluorophenyl)methyl]-1,2-dihydropyrazol-4-yl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.582
    Molar Refractivity: 96.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 144.15
    ACD/KOC (pH 5.5): 1220.55
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 119.07
    ACD/KOC (pH 7.4): 1008.20
    Polar Surface Area: 88 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 51.4±3.0 dyne/cm
    Molar Volume: 288.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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