CAS 122799-96-6: Ethyl 3-amino-1-propyl-1H-pyrazole-4-carboxylate

Description: Ethyl 3-amino-1-propyl-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of an amino group at the 3-position of the pyrazole ring indicates potential for hydrogen bonding and reactivity, making it a candidate for various chemical reactions. The carboxylate group at the 4-position enhances its acidity and can participate in further chemical transformations. This compound is of interest in medicinal chemistry and may exhibit biological activity, potentially serving as a scaffold for drug development. Its molecular structure allows for various substitutions, which can influence its pharmacological properties. As with many pyrazole derivatives, it may be explored for applications in agriculture, pharmaceuticals, or as a building block in organic synthesis. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₉H₁₅N₃O₂

InChI: InChI=1S/C9H15N3O2/c1-3-5-12-6-7(8(10)11-12)9(13)14-4-2/h6H,3-5H2,1-2H3,(H2,10,11)

InChI key: InChIKey=KEGZZDZCASXTLH-UHFFFAOYSA-N

SMILES: O=C(OCC)C1=CN(N=C1N)CCC

Synonyms:

• 3-Amino-1-propyl-1H-pyrazole-4-carboxylic acid ethyl ester
• 1H-Pyrazole-4-carboxylic acid, 3-amino-1-propyl-, ethyl ester
• Ethyl 3-amino-1-propyl-1H-pyrazole-4-carboxylate

Ethyl 3-amino-1-propyl-1H-pyrazole-4-carboxylate

CAS: 122799-96-6

Versatile small molecule scaffold

• Formula: C₉H₁₅N₃O₂
• Purity: Min. 95%
• Molecular weight: 197.23 g/mol