ChemSpider 2D Image | 4-Bromo-3-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1H-pyrazole-5-carboxamide | C14H22BrN3O2

4-Bromo-3-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID30486032

More details:

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

1H-Pyrazole-5-carboxamide, 4-bromo-N-methyl-3-(1-methylethyl)-N-[(tetrahydro-2H-pyran-2-yl)methyl]- [ACD/Index Name]
4-Brom-3-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-3-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
4-Bromo-3-isopropyl-N-méthyl-N-(tétrahydro-2H-pyran-2-ylméthyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
4-BROMO-5-ISOPROPYL-N-METHYL-N-(OXAN-2-YLMETHYL)-2H-PYRAZOLE-3-CARBOXAMIDE
4-BROMO-N-METHYL-N-[(OXAN-2-YL)METHYL]-3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.72
ACD/KOC (pH 5.5): 413.31
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.72
ACD/KOC (pH 7.4): 413.27
Polar Surface Area: 58 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 256.0±3.0 cm3

Click to predict properties on the Chemicalize site


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