ChemSpider 2D Image | N-[2-(Dimethylamino)-2-phenylethyl]-N'-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanediamide | C21H31N5O2

N-[2-(Dimethylamino)-2-phenylethyl]-N'-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanediamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID27320314

More details:

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

Ethanediamide, N1-[2-(dimethylamino)-2-phenylethyl]-N2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
N-[2-(Dimethylamino)-2-phenylethyl]-N'-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)ethandiamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)-2-phenylethyl]-N'-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanediamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)-2-phényléthyl]-N'-(1-isobutyl-3,5-diméthyl-1H-pyrazol-4-yl)éthanediamide [French] [ACD/IUPAC Name]
1246045-66-8 [RN]
N-[2-(dimethylamino)-2-phenylethyl]-N'-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]ethanediamide
N-[2-(dimethylamino)-2-phenylethyl]-N'-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]oxamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.575
    Molar Refractivity: 111.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.57
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 31.82
    ACD/KOC (pH 7.4): 336.06
    Polar Surface Area: 79 Å2
    Polarizability: 44.4±0.5 10-24cm3
    Surface Tension: 39.6±7.0 dyne/cm
    Molar Volume: 338.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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