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CAS 1646543-44-3

:

1,1-Dimethylethyl 3-amino-1H-pyrazole-4-carboxylate

Description:
1,1-Dimethylethyl 3-amino-1H-pyrazole-4-carboxylate, identified by its CAS number 1646543-44-3, is a chemical compound characterized by its pyrazole core, which features a carboxylate functional group and an amino substituent. This compound typically exhibits properties associated with both pyrazole derivatives and carboxylic acids, such as potential acidity due to the carboxylate group and basicity from the amino group. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, which can influence its reactivity and solubility in various solvents. Pyrazole derivatives are often studied for their biological activities, including anti-inflammatory and antimicrobial properties. The compound's structure suggests it may participate in hydrogen bonding due to the amino and carboxylate groups, which can affect its interactions in biological systems. Overall, 1,1-Dimethylethyl 3-amino-1H-pyrazole-4-carboxylate is of interest in medicinal chemistry and may have applications in drug development or agricultural chemistry.
Formula:C8H13N3O2
InChI:InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)5-4-10-11-6(5)9/h4H,1-3H3,(H3,9,10,11)
InChI key:InChIKey=HGKBQLPIRWGTGO-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C=1C(N)=NNC1
Synonyms:
  • 1,1-Dimethylethyl 3-amino-1H-pyrazole-4-carboxylate
  • 1H-Pyrazole-4-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
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