CAS 1354706-36-7

3-[3-Methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoic acid

Description:

3-[3-Methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring and a propynoic acid moiety. The presence of the 3-methyl and isopropyl substituents on the pyrazole ring contributes to its distinct chemical properties, potentially influencing its reactivity and solubility. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests it could participate in various chemical reactions, including those typical of carboxylic acids and heterocyclic compounds. The CAS number 1354706-36-7 provides a unique identifier for this substance, facilitating its identification in chemical databases and literature. As with many organic compounds, its physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the sample. Overall, this compound represents a class of organic molecules that may have applications in medicinal chemistry and materials science.

Formula: C₁₀H₁₂N₂O₂

InChI: InChI=1S/C10H12N2O2/c1-7(2)12-6-9(8(3)11-12)4-5-10(13)14/h6-7H,1-3H3,(H,13,14)

InChI key: InChIKey=XSWVKFGFZJVDLX-UHFFFAOYSA-N

SMILES: C(#CC(O)=O)C1=CN(C(C)C)N=C1C

Synonyms:

• 3-[3-Methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoic acid
• 2-Propynoic acid, 3-[3-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-