Ethyl 4-(Butylamino)-1-Ethyl-6-Methyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylate

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Properties Simple | Detailed

Formula C16H24N4O2
IUPAC Name ethyl 4-(butylamino)-1-ethyl-6-methyl-pyrazolo[3,4-b]pyridin-1-ium-2-ide-5-carboxylate
Molecular Mass 304.387 g·mol−1
Heat of Formation -259.6 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 380.62 Å 3
Surface Area 334.93 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazolo(3,4-b)pyridine-5-carboxylic acid, 4-(butylamino)-1-ethyl-6-methyl-, ethyl ester
  • 4-(butylamino)-1-ethyl-6-methyl-1h-pyrazolo(3,4-b)pyridine-5-carboxylic acid ethyl ester
  • 4-butylamino-1-ethyl-6-methyl-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
  • 4-butylamino-1-ethyl-6-methyl-pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester
  • bpbio1_001113
  • d06200
  • ethyl 4-(butylamino)-1-ethyl-6-methyl-1h-pyrazolo(3,4-b)pyridine-5-carboxylate
  • ethyl 4-butylamino-1-ethyl-6-methyl-pyrazolo[4,5-e]pyridine-5-carboxylate
  • ethyl 4-butylamino-1-ethyl-6-methylpyrazolo[4,5-e]pyridine-5-carboxylate
  • ici 136,753
  • ici-136753
  • tocris-1558
  • tracazolate
  • tracazolate (usan)
CAS Number(s)
  • 41094-88-6
InChIKey PCTRYMLLRKWXGF-UHFFFAOYSA-N
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