ChemSpider 2D Image | 2-[3,5-Bis(3,4-dimethoxyphenyl)-4-ethyl-1H-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidine | C31H31F3N6O4

2-[3,5-Bis(3,4-dimethoxyphenyl)-4-ethyl-1H-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidine

  • Molecular FormulaC31H31F3N6O4
  • Average mass608.611 Da
  • Monoisotopic mass608.235901 Da
  • ChemSpider ID12541305

More details:

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

2-[3,5-Bis(3,4-dimethoxyphenyl)-4-ethyl-1H-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
2-[3,5-Bis(3,4-dimethoxyphenyl)-4-ethyl-1H-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
2-[3,5-Bis(3,4-diméthoxyphényl)-4-éthyl-1H-pyrazol-1-yl]-4-(1,3-diméthyl-1H-pyrazol-4-yl)-6-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1H-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)- [ACD/Index Name]
2-[3,5-Bis-(3,4-dimethoxy-phenyl)-4-ethyl-pyrazol-1-yl]-4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-trifluoromethyl-pyrimidine
4-{5-(3,4-dimethoxyphenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)pyrimidin-2-yl]-4-ethylpyrazol-3-yl}-1,2-dimethoxybenzene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.88
ACD/KOC (pH 5.5): 3722.87
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.88
ACD/KOC (pH 7.4): 3722.87
Polar Surface Area: 98 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 462.4±7.0 cm3

Click to predict properties on the Chemicalize site


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