ChemSpider 2D Image | [3-(3-Methoxyphenyl)-1H-pyrazol-5-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone | C21H22N8O2

[3-(3-Methoxyphenyl)-1H-pyrazol-5-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone

  • Molecular FormulaC21H22N8O2
  • Average mass418.452 Da
  • Monoisotopic mass418.186584 Da
  • ChemSpider ID44218573

More details:

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

[3-(3-Methoxyphenyl)-1H-pyrazol-5-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanon [German] [ACD/IUPAC Name]
[3-(3-Methoxyphenyl)-1H-pyrazol-5-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone [ACD/IUPAC Name]
[3-(3-Méthoxyphényl)-1H-pyrazol-5-yl][1-méthyl-3-(4-méthyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(3-methoxyphenyl)-1H-pyrazol-5-yl][1,4,6,7-tetrahydro-1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-5H-pyrazolo[4,3-c]pyridin-5-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 432.0±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.00
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.43
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.43
Polar Surface Area: 107 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement