ChemSpider 2D Image | 2-[4-(1-Phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone | C27H28F3N5O

2-[4-(1-Phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID29042598

More details:

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

2-[4-(1-Phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
2-[4-(1-Phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-[4-(1-Phényl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[3,6-dihydro-4-(1-phenyl-1H-pyrazol-4-yl)-1(2H)-pyridinyl]-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
1-{[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]acetyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 45.22
ACD/KOC (pH 5.5): 237.60
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 642.59
ACD/KOC (pH 7.4): 3376.25
Polar Surface Area: 45 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 383.3±7.0 cm3

Click to predict properties on the Chemicalize site


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