ChemSpider 2D Image | Ethyl (4-{3-amino-1-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-oxopropyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate | C19H27N5O6S

Ethyl (4-{3-amino-1-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-oxopropyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate

  • Molecular FormulaC19H27N5O6S
  • Average mass453.513 Da
  • Monoisotopic mass453.168213 Da
  • ChemSpider ID32514976

More details:

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

(4-{3-Amino-1-[1-(1,1-dioxydotétrahydro-3-thiophényl)-3,5-diméthyl-1H-pyrazol-4-yl]-3-oxopropyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4-[3-amino-1-[3,5-dimethyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-3-oxopropyl]-2,5-dihydro-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl (4-{3-amino-1-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-oxopropyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate [ACD/IUPAC Name]
Ethyl-(4-{3-amino-1-[1-(1,1-dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-oxopropyl}-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetat [German] [ACD/IUPAC Name]
1630822-85-3 [RN]
ethyl (4-{3-amino-1-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-oxopropyl}-3-hydroxy-1H-pyrazol-5-yl)acetate
ethyl 2-(4-(3-amino-1-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropyl)-3-hydroxy-1H-pyrazol-5-yl)acetate
ethyl 2-[4-[3-amino-1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-3-oxopropyl]-5-oxo-1,2-dihydropyrazol-3-yl]acetate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.687
    Molar Refractivity: 110.6±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: -0.50
    ACD/LogD (pH 5.5): -0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.56
    ACD/LogD (pH 7.4): -0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.44
    Polar Surface Area: 171 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 63.2±7.0 dyne/cm
    Molar Volume: 290.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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