CAS 1354706-45-8

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

Description:

Methyl 3-[3-methyl-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-propynoate, identified by its CAS number 1354706-45-8, is an organic compound characterized by its unique structural features, including a pyrazole ring and a propynoate moiety. This compound typically exhibits properties associated with both pyrazole derivatives and alkynoates, such as potential biological activity and reactivity due to the presence of the triple bond in the propynoate group. The methyl ester functional group contributes to its solubility in organic solvents, making it suitable for various chemical reactions and applications in organic synthesis. Additionally, the presence of the isopropyl group on the pyrazole ring may influence its steric and electronic properties, potentially affecting its reactivity and interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry and agrochemical research, where pyrazole derivatives are often explored for their pharmacological properties.

Formula: C₁₁H₁₄N₂O₂

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

InChI key: InChIKey=OEWCSJYKKZROAC-UHFFFAOYSA-N

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

Synonyms:

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