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

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

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID119948156

More details:

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

1-({6-Amino-1-methyl-3-(trifluormethyl)-4-[4-(trifluormethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-({6-Amino-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-({6-Amino-1-méthyl-3-(trifluorométhyl)-4-[4-(trifluorométhyl)phényl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl}carbonyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[6-amino-1,4-dihydro-1-methyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyrazol-5-yl]carbonyl]- [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: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.82
ACD/KOC (pH 5.5): 304.63
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 21.08
ACD/KOC (pH 7.4): 308.44
Polar Surface Area: 116 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 320.4±7.0 cm3

Click to predict properties on the Chemicalize site


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