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

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

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID3610186

More details:

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

[3-(3,4-Dimethylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[3-(3,4-Dimethylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[3-(3,4-Diméthylphényl)-1-(3-nitrophényl)-1H-pyrazol-5-yl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(3,4-dimethylphenyl)-1-(3-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: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±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: 5.46
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6275.11
ACD/KOC (pH 5.5): 18193.56
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6275.67
ACD/KOC (pH 7.4): 18195.18
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

Click to predict properties on the Chemicalize site


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