ChemSpider 2D Image | 3-(5-Bromo-1H-indol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide | C18H21BrN4O

3-(5-Bromo-1H-indol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide

  • Molecular FormulaC18H21BrN4O
  • Average mass389.289 Da
  • Monoisotopic mass388.089874 Da
  • ChemSpider ID30670442

More details:

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

1H-Indole-1-propanamide, 5-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
3-(5-Brom-1H-indol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamid [German] [ACD/IUPAC Name]
3-(5-Bromo-1H-indol-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide [ACD/IUPAC Name]
3-(5-Bromo-1H-indol-1-yl)-N-[(1,3,5-triméthyl-1H-pyrazol-4-yl)méthyl]propanamide [French] [ACD/IUPAC Name]
1374537-83-3 [RN]
3-(5-bromoindol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 618.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±3.0 kJ/mol
    Flash Point: 327.8±31.5 °C
    Index of Refraction: 1.645
    Molar Refractivity: 99.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 143.07
    ACD/KOC (pH 5.5): 1214.14
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 143.40
    ACD/KOC (pH 7.4): 1216.91
    Polar Surface Area: 52 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 46.8±7.0 dyne/cm
    Molar Volume: 275.0±7.0 cm3

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