ChemSpider 2D Image | 1-[4-({6-Amino-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-1-piperazinyl]ethanone | C22H21F6N5O3

1-[4-({6-Amino-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-1-piperazinyl]ethanone

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID119947675

More details:

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

1-[4-({6-Amino-1-methyl-3-(trifluormethyl)-4-[4-(trifluormethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-({6-Amino-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[4-({6-Amino-1-méthyl-3-(trifluorométhyl)-4-[4-(trifluorométhyl)phényl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[6-amino-1,4-dihydro-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyrazol-5-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 619.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.13
ACD/KOC (pH 5.5): 265.42
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.25
ACD/KOC (pH 7.4): 267.23
Polar Surface Area: 94 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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