ChemSpider 2D Image | 2-Methyl-2-propanyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate | C9H15N3O2

2-Methyl-2-propanyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID28543165

More details:






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

1H-Pyrazole-1-carboxylic acid, 5-amino-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-amino-3-methyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Amino-3-méthyl-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1065204-79-6]
1065204-79-6 [RN]
5-?amino-?3-?methyl-1H-?Pyrazole-?1-?carboxylic acid?, 1,?1-?dimethylethyl ester
5-Amino-1-Boc-3-methyl-1H-pyrazole
5-Amino-3-methyl-1H-pyrazole N1-BOC protected
5-Amino-3-methyl-1H-pyrazole, N1-BOC protected
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 322.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.0±25.7 °C
Index of Refraction: 1.541
Molar Refractivity: 52.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 94.31
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.03
ACD/KOC (pH 7.4): 94.32
Polar Surface Area: 70 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 166.9±7.0 cm3

Click to predict properties on the Chemicalize site






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