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Search term: MF = 'C_{16}H_{20}N_{4}O'
ChemSpider 2D Image | 5-Amino-3-[(benzyloxy)methyl]-1-tert-butyl-1H-pyrazole-4-carbonitrile | C16H20N4O

5-Amino-3-[(benzyloxy)methyl]-1-tert-butyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC16H20N4O
  • Average mass284.356 Da
  • Monoisotopic mass284.163696 Da
  • ChemSpider ID23346732

More details:

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

1151653-30-3 [RN]
1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-[(phenylmethoxy)methyl]- [ACD/Index Name]
5-amino-3-((benzyloxy)methyl)-1-(tert-butyl)-1H-pyrazole-4-carbonitrile
5-Amino-3-[(benzyloxy)methyl]-1-(2-methyl-2-propanyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-3-[(benzyloxy)methyl]-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-3-[(benzyloxy)méthyl]-1-(2-méthyl-2-propanyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-Amino-3-[(benzyloxy)methyl]-1-tert-butyl-1H-pyrazole-4-carbonitrile
5-amino-3-(benzyloxymethyl)-1-tert-butyl-1H-pyrazole-4-carbonitrile
5-AMINO-3-[(BENZYLOXY)METHYL]-1-TERT-BUTYLPYRAZOLE-4-CARBONITRILE
MFCD11109925

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.3±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 83.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.25
ACD/KOC (pH 5.5): 1001.62
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.25
ACD/KOC (pH 7.4): 1001.63
Polar Surface Area: 77 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 251.5±7.0 cm3

Click to predict properties on the Chemicalize site


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