ChemSpider 2D Image | [1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C29H26F3N5O3

[1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID3196871

More details:

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

[1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[1-(2,4-Dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[1-(2,4-Diméthylphényl)-3-(4-nitrophényl)-1H-pyrazol-5-yl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazol-5-yl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6094.24
ACD/KOC (pH 5.5): 17816.62
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6094.81
ACD/KOC (pH 7.4): 17818.29
Polar Surface Area: 87 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 408.1±7.0 cm3

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