ChemSpider 2D Image | 1-[1-(4-METHYLBENZENESULFONYL)PYRROLIDIN-3-YL]-1H-PYRAZOLE | C14H17N3O2S

1-[1-(4-METHYLBENZENESULFONYL)PYRROLIDIN-3-YL]-1H-PYRAZOLE

  • Molecular FormulaC14H17N3O2S
  • Average mass291.369 Da
  • Monoisotopic mass291.104156 Da
  • ChemSpider ID26457353

More details:

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

1-[1-(4-METHYLBENZENESULFONYL)PYRROLIDIN-3-YL]-1H-PYRAZOLE
1-[1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl]-1H-pyrazole
1-{1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}-1H-pyrazol [German] [ACD/IUPAC Name]
1-{1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}-1H-pyrazole [ACD/IUPAC Name]
1-{1-[(4-Méthylphényl)sulfonyl]-3-pyrrolidinyl}-1H-pyrazole [French] [ACD/IUPAC Name]
1228552-73-5 [RN]
1H-Pyrazole, 1-[1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinyl]- [ACD/Index Name]
1-(1-[(4-Methylphenyl)sulfonyl]pyrrolidin-3-yl)-1h-pyrazole
1-(1-Tosylpyrrolidin-3-yl)-1H-pyrazole
1-[1-(4-METHYLBENZENESULFONYL)PYRROLIDIN-3-YL]PYRAZOLE
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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: 469.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.9±31.5 °C
    Index of Refraction: 1.654
    Molar Refractivity: 80.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.93
    ACD/KOC (pH 5.5): 327.39
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.00
    ACD/KOC (pH 7.4): 328.40
    Polar Surface Area: 64 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 54.2±7.0 dyne/cm
    Molar Volume: 218.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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