ChemSpider 2D Image | 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-N-[4-(5-pyrimidinylethynyl)benzyl]ethanamine | C25H23N5

1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-N-[4-(5-pyrimidinylethynyl)benzyl]ethanamine

  • Molecular FormulaC25H23N5
  • Average mass393.484 Da
  • Monoisotopic mass393.195343 Da
  • ChemSpider ID22139889

More details:

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

1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-N-[4-(5-pyrimidinylethinyl)benzyl]ethanamin [German] [ACD/IUPAC Name]
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-N-[4-(5-pyrimidinylethynyl)benzyl]ethanamine [ACD/IUPAC Name]
1-(5-Méthyl-1-phényl-1H-pyrazol-4-yl)-N-[4-(5-pyrimidinyléthynyl)benzyl]éthanamine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanamine, α,5-dimethyl-1-phenyl-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]- [ACD/Index Name]
[1-(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)ETHYL]({4-[2-(PYRIMIDIN-5-YL)ETHYNYL]PHENYL}METHYL)AMINE
[1-(5-METHYL-1-PHENYLPYRAZOL-4-YL)ETHYL]({4-[2-(PYRIMIDIN-5-YL)ETHYNYL]PHENYL}METHYL)AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 13.97
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 122.59
ACD/KOC (pH 7.4): 711.28
Polar Surface Area: 56 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 348.6±7.0 cm3

Click to predict properties on the Chemicalize site


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