CAS 1354706-63-0

Methyl 3-[5-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoate

Description:

Methyl 3-[5-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoate is an organic compound characterized by its complex structure, which includes a pyrazole ring and a propynoate moiety. The presence of the pyrazole ring suggests potential biological activity, as pyrazoles are often found in pharmaceuticals and agrochemicals. This compound features a methyl group and an isopropyl group, contributing to its hydrophobic characteristics, which may influence its solubility and reactivity. The propynoate functional group indicates that it may participate in various chemical reactions, including nucleophilic additions and cycloadditions. Its molecular structure suggests that it could exhibit interesting properties such as potential anti-inflammatory or anti-cancer activities, common in pyrazole derivatives. Additionally, the compound's stability and reactivity can be influenced by the presence of electron-donating or withdrawing groups in its structure. Overall, Methyl 3-[5-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoate represents a unique chemical entity with potential applications in medicinal chemistry and materials science.

Formula: C₁₁H₁₄N₂O₂

InChI: InChI=1S/C11H14N2O2/c1-8(2)13-9(3)10(7-12-13)5-6-11(14)15-4/h7-8H,1-4H3

InChI key: InChIKey=TYPXYCJCVXFOES-UHFFFAOYSA-N

SMILES: C(#CC(OC)=O)C1=C(C)N(C(C)C)N=C1

Synonyms:

• 2-Propynoic acid, 3-[5-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-, methyl ester
• Methyl 3-[5-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoate