ChemSpider 2D Image | 2-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-1-{4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}ethanone | C23H26ClN5O

2-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-1-{4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}ethanone

  • Molecular FormulaC23H26ClN5O
  • Average mass423.938 Da
  • Monoisotopic mass423.182587 Da
  • ChemSpider ID29352555

More details:

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

2-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-1-{4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-[5-(4-Chlorophényl)-3-méthyl-1H-pyrazol-4-yl]-1-{4-[2-(4-pyridinyl)éthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
2-[5-(4-Chlorphenyl)-3-methyl-1H-pyrazol-4-yl]-1-{4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[5-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-1-[4-[2-(4-pyridinyl)ethyl]-1-piperazinyl]- [ACD/Index Name]
1489260-66-3 [RN]
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
2-[3-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]-1-{4-[2-(PYRIDIN-4-YL)ETHYL]PIPERAZIN-1-YL}ETHAN-1-ONE
2-[3-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]-1-{4-[2-(PYRIDIN-4-YL)ETHYL]PIPERAZIN-1-YL}ETHANONE
2-[5-(4-Chloro-phenyl)-3-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-yl-ethyl)-piperazin-1-yl]-ethanone
2-[5-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethanone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 675.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 362.1±31.5 °C
    Index of Refraction: 1.617
    Molar Refractivity: 118.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 19.69
    ACD/KOC (pH 5.5): 156.31
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 169.63
    ACD/KOC (pH 7.4): 1346.50
    Polar Surface Area: 65 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 337.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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