ChemSpider 2D Image | {4-[2-(Allyloxy)phenyl]-6-amino-1-(4-chlorophenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}(1-pyrrolidinyl)methanone | C27H24ClF3N4O3

{4-[2-(Allyloxy)phenyl]-6-amino-1-(4-chlorophenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}(1-pyrrolidinyl)methanone

  • Molecular FormulaC27H24ClF3N4O3
  • Average mass544.953 Da
  • Monoisotopic mass544.148926 Da
  • ChemSpider ID119817287

More details:

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

{4-[2-(Allyloxy)phenyl]-6-amino-1-(4-chlorophenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}(1-pyrrolidinyl)methanone [ACD/IUPAC Name]
{4-[2-(Allyloxy)phényl]-6-amino-1-(4-chlorophényl)-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}(1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
{4-[2-(Allyloxy)phenyl]-6-amino-1-(4-chlorphenyl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}(1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [6-amino-1-(4-chlorophenyl)-1,4-dihydro-4-[2-(2-propen-1-yloxy)phenyl]-3-(trifluoromethyl)pyrano[2,3-c]pyrazol-5-yl]-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: 637.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2528.51
ACD/KOC (pH 5.5): 9484.01
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2536.07
ACD/KOC (pH 7.4): 9512.40
Polar Surface Area: 83 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

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