ChemSpider 2D Image | 1-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone | C25H29ClN4O

1-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID29346827

More details:

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

1-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-{4-[(4-Chlorophényl)(phényl)méthyl]-1-pipérazinyl}-3-(3,5-diméthyl-1H-pyrazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-{4-[(4-Chlorphenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)- [ACD/Index Name]
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
1-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-propan-1-one
1435898-86-4 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 632.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.5±3.0 kJ/mol
    Flash Point: 336.4±31.5 °C
    Index of Refraction: 1.619
    Molar Refractivity: 124.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.49
    ACD/LogD (pH 5.5): 4.19
    ACD/BCF (pH 5.5): 836.55
    ACD/KOC (pH 5.5): 3911.54
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 1162.38
    ACD/KOC (pH 7.4): 5435.01
    Polar Surface Area: 52 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 55.3±3.0 dyne/cm
    Molar Volume: 355.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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