ChemSpider 2D Image | 4-Bromo-N-[3-(cyclopropylmethoxy)propyl]-3-isopropyl-1H-pyrazole-5-carboxamide | C14H22BrN3O2

4-Bromo-N-[3-(cyclopropylmethoxy)propyl]-3-isopropyl-1H-pyrazole-5-carboxamide

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID30357985

More details:

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

1H-Pyrazole-5-carboxamide, 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-3-(1-methylethyl)- [ACD/Index Name]
4-Brom-N-[3-(cyclopropylmethoxy)propyl]-3-isopropyl-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-N-[3-(cyclopropylmethoxy)propyl]-3-isopropyl-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
4-Bromo-N-[3-(cyclopropylméthoxy)propyl]-3-isopropyl-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
4-BROMO-N-[3-(CYCLOPROPYLMETHOXY)PROPYL]-3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBOXAMIDE
4-BROMO-N-[3-(CYCLOPROPYLMETHOXY)PROPYL]-5-ISOPROPYL-2H-PYRAZOLE-3-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.3±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.66
ACD/KOC (pH 5.5): 393.89
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.64
ACD/KOC (pH 7.4): 393.66
Polar Surface Area: 67 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

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