ChemSpider 2D Image | 3-[5-(4-Methylphenyl)-1-phenyl-1H-pyrazol-3-yl]-1-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperazinyl}-1-propanone | C34H40N4O

3-[5-(4-Methylphenyl)-1-phenyl-1H-pyrazol-3-yl]-1-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperazinyl}-1-propanone

  • Molecular FormulaC34H40N4O
  • Average mass520.708 Da
  • Monoisotopic mass520.320190 Da
  • ChemSpider ID26613413

More details:

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

1-Propanone, 1-[4-[[4-(1,1-dimethylethyl)phenyl]methyl]-1-piperazinyl]-3-[5-(4-methylphenyl)-1-phenyl-1H-pyrazol-3-yl]- [ACD/Index Name]
3-[5-(4-Methylphenyl)-1-phenyl-1H-pyrazol-3-yl]-1-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperazinyl}-1-propanon [German] [ACD/IUPAC Name]
3-[5-(4-Methylphenyl)-1-phenyl-1H-pyrazol-3-yl]-1-{4-[4-(2-methyl-2-propanyl)benzyl]-1-piperazinyl}-1-propanone [ACD/IUPAC Name]
3-[5-(4-Méthylphényl)-1-phényl-1H-pyrazol-3-yl]-1-{4-[4-(2-méthyl-2-propanyl)benzyl]-1-pipérazinyl}-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 18662.36
ACD/KOC (pH 5.5): 27142.33
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68664.74
ACD/KOC (pH 7.4): 99865.26
Polar Surface Area: 41 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 472.8±7.0 cm3

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