ChemSpider 2D Image | 4-Bromo-3-methyl-N-{[1-methyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]methyl}aniline | C17H17BrN4

4-Bromo-3-methyl-N-{[1-methyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]methyl}aniline

  • Molecular FormulaC17H17BrN4
  • Average mass357.248 Da
  • Monoisotopic mass356.063660 Da
  • ChemSpider ID30076473

More details:

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

1H-Pyrazole-4-methanamine, N-(4-bromo-3-methylphenyl)-1-methyl-3-(3-pyridinyl)- [ACD/Index Name]
4-Brom-3-methyl-N-{[1-methyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]methyl}anilin [German] [ACD/IUPAC Name]
4-Bromo-3-methyl-N-{[1-methyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]methyl}aniline [ACD/IUPAC Name]
4-Bromo-3-méthyl-N-{[1-méthyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]méthyl}aniline [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.08
ACD/KOC (pH 5.5): 1722.73
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.68
ACD/KOC (pH 7.4): 1741.87
Polar Surface Area: 43 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

Click to predict properties on the Chemicalize site


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