ChemSpider 2D Image | [4-(2,5-Dimethylphenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone | C25H31N7O

[4-(2,5-Dimethylphenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone

  • Molecular FormulaC25H31N7O
  • Average mass445.560 Da
  • Monoisotopic mass445.259003 Da
  • ChemSpider ID39181758

More details:

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

[4-(2,5-Dimethylphenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanon [German] [ACD/IUPAC Name]
[4-(2,5-Dimethylphenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone [ACD/IUPAC Name]
[4-(2,5-Diméthylphényl)-1-pipérazinyl]{1-[6-(3,5-diméthyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azétidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(2,5-dimethylphenyl)-1-piperazinyl][1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl]- [ACD/Index Name]
(1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)azetidin-3-yl)(4-(2,5-dimethylphenyl)piperazin-1-yl)methanone
2034582-70-0 [RN]
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]azetidin-1-yl}pyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.8±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.96
ACD/KOC (pH 5.5): 1421.48
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.97
ACD/KOC (pH 7.4): 1437.41
Polar Surface Area: 70 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 343.2±7.0 cm3

Click to predict properties on the Chemicalize site


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