ChemSpider 2D Image | 2-[5-Amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone | C25H28N8O3

2-[5-Amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID22531369

More details:

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

2-[5-Amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-[5-Amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-[5-Amino-3-(méthylamino)-4-(3-phényl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-méthoxyphényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[5-amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]- [ACD/Index Name]
1171845-48-9 [RN]
2-(5-amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)-1-(4-(2-methoxyphenyl)piperazin-1-yl)ethanone
2-[5-amino-3-(methylamino)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 783.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.5±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.56
ACD/KOC (pH 5.5): 601.10
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.63
ACD/KOC (pH 7.4): 601.86
Polar Surface Area: 128 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 348.5±7.0 cm3

Click to predict properties on the Chemicalize site


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