ChemSpider 2D Image | Ethyl 3-[(4-isopropyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate | C13H22N4O4S

Ethyl 3-[(4-isopropyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID26014534

More details:

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

1260986-99-9 [RN]
1H-Pyrazole-4-carboxylic acid, 3-[[4-(1-methylethyl)-1-piperazinyl]sulfonyl]-, ethyl ester [ACD/Index Name]
3-[(4-Isopropyl-1-pipérazinyl)sulfonyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(4-isopropyl-1-piperazinyl)sulfonyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
ethyl 3-{[4-(propan-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-4-carboxylate
Ethyl-3-[(4-isopropyl-1-piperazinyl)sulfonyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1260986-99-9] [RN]
3-(4-Isopropyl-piperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid ethyl ester
BS-3086
Ethyl 3-((4-isopropylpiperazin-1-yl)sulfonyl)-1H-pyrazole-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 518.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±3.0 kJ/mol
    Flash Point: 267.6±32.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 81.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.15
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 2.91
    ACD/KOC (pH 7.4): 63.20
    Polar Surface Area: 104 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 253.9±3.0 cm3

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