ChemSpider 2D Image | 2-[4-({5-Methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone | C21H25F3N6O2

2-[4-({5-Methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID33625650

More details:

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

2-[4-({5-Methyl-1-[5-(trifluormethyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)-1-piperazinyl]-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-[4-({5-Methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-[4-({5-Méthyl-1-[5-(trifluorométhyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)-1-pipérazinyl]-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]carbonyl]-1-piperazinyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 135.69
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.34
ACD/KOC (pH 7.4): 158.78
Polar Surface Area: 75 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

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