ChemSpider 2D Image | 1-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-3-[1-phenyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-propen-1-one | C29H31N7O

1-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-3-[1-phenyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-propen-1-one

  • Molecular FormulaC29H31N7O
  • Average mass493.603 Da
  • Monoisotopic mass493.259003 Da
  • ChemSpider ID35447155

More details:

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

1-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-3-[1-phenyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
1-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-3-[1-phenyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-propen-1-one [ACD/IUPAC Name]
1-[4-(2-Isopropyl-6-méthyl-4-pyrimidinyl)-1-pipérazinyl]-3-[1-phényl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl]-1-piperazinyl]-3-[1-phenyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 744.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.2±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 19.43
ACD/KOC (pH 7.4): 143.06
Polar Surface Area: 80 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 402.1±7.0 cm3

Click to predict properties on the Chemicalize site


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