ChemSpider 2D Image | 2-{2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidine | C21H22N8O

2-{2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidine

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID24840756

More details:

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

2-{2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin [German] [ACD/IUPAC Name]
2-{2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidine [ACD/IUPAC Name]
2-{2-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}-4-(1,3,5-triméthyl-1H-pyrazol-4-yl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)- [ACD/Index Name]
2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.3±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.64
ACD/KOC (pH 5.5): 551.62
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.05
ACD/KOC (pH 7.4): 556.37
Polar Surface Area: 99 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 281.6±7.0 cm3

Click to predict properties on the Chemicalize site


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