ChemSpider 2D Image | 3-{3,5-Dimethyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-(4-phenyl-1-piperazinyl)-1-propanone | C26H33N7O

3-{3,5-Dimethyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-(4-phenyl-1-piperazinyl)-1-propanone

  • Molecular FormulaC26H33N7O
  • Average mass459.586 Da
  • Monoisotopic mass459.274658 Da
  • ChemSpider ID28955580

More details:

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

1-Propanone, 3-[3,5-dimethyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl]-1-(4-phenyl-1-piperazinyl)- [ACD/Index Name]
3-{3,5-Dimethyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-(4-phenyl-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
3-{3,5-Dimethyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-(4-phenyl-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
3-{3,5-Diméthyl-1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-(4-phényl-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.2±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.40
ACD/KOC (pH 5.5): 1788.32
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.59
ACD/KOC (pH 7.4): 1804.18
Polar Surface Area: 70 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 361.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement