ChemSpider 2D Image | ethyl 3-[(4-methylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate | C11H18N4O4S

ethyl 3-[(4-methylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC11H18N4O4S
  • Average mass302.350 Da
  • Monoisotopic mass302.104889 Da
  • ChemSpider ID22278071

More details:

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

1106908-85-3 [RN]
1H-Pyrazole-4-carboxylic acid, 5-[(4-methyl-1-piperazinyl)sulfonyl]-, ethyl ester [ACD/Index Name]
5-[(4-Méthyl-1-pipérazinyl)sulfonyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 3-[(4-methylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate
Ethyl 5-[(4-methyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1106908-85-3] [RN]
3-(4-Methyl-piperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid ethyl ester
BS-3087
Ethyl 3-((4-methylpiperazin-1-yl)sulfonyl)-1H-pyrazole-4-carboxylate
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 510.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±3.0 kJ/mol
    Flash Point: 262.8±32.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 71.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.33
    ACD/LogD (pH 5.5): 0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.11
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.71
    ACD/KOC (pH 7.4): 50.13
    Polar Surface Area: 104 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 56.4±3.0 dyne/cm
    Molar Volume: 221.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement