ChemSpider 2D Image | N-[1-(4-Chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide | C27H26ClF3N6O3

N-[1-(4-Chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

  • Molecular FormulaC27H26ClF3N6O3
  • Average mass574.982 Da
  • Monoisotopic mass574.170715 Da
  • ChemSpider ID12522823

More details:

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

N-[1-(4-Chlorbenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
N-[1-(4-Chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide [ACD/IUPAC Name]
N-[1-(4-Chlorobenzyl)-5-méthyl-1H-pyrazol-3-yl]-5-(3,4-diméthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)- [ACD/Index Name]
5-(3,4-Dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-chloro-benzyl)-5-methyl-1H-pyrazol-3-yl]-amide
N-[1-[(4-CHLOROPHENYL)METHYL]-5-METHYLPYRAZOL-3-YL]-5-(3,4-DIMETHOXYPHENYL)-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2361.01
ACD/KOC (pH 5.5): 9037.62
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.03
ACD/KOC (pH 7.4): 9037.71
Polar Surface Area: 95 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 395.3±7.0 cm3

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