ChemSpider 2D Image | Methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate | C16H16F3N3O3

Methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

  • Molecular FormulaC16H16F3N3O3
  • Average mass355.312 Da
  • Monoisotopic mass355.114380 Da
  • ChemSpider ID21759123

More details:

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

5-(4-Méthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Methyl-5-(4-methoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-, methyl ester [ACD/Index Name]
5-(4-Methoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester
methyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroine-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.3±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 440.25
ACD/KOC (pH 5.5): 2716.18
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 440.26
ACD/KOC (pH 7.4): 2716.24
Polar Surface Area: 65 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 247.4±7.0 cm3

Click to predict properties on the Chemicalize site


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