CAS 1354705-01-3

4-Ethynyl-3-methyl-1H-pyrazole-1-acetic acid

Description:

4-Ethynyl-3-methyl-1H-pyrazole-1-acetic acid is a chemical compound characterized by its unique pyrazole structure, which includes an ethynyl group and a methyl substituent. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of the ethynyl group enhances its reactivity, making it a potential candidate for various chemical reactions, including coupling reactions and as a building block in organic synthesis. The pyrazole ring is known for its biological activity, and derivatives of pyrazole compounds often exhibit pharmacological properties, including anti-inflammatory and analgesic effects. The compound's molecular structure allows for potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, its solubility and stability in different solvents can vary, influencing its application in research and industry. Overall, 4-Ethynyl-3-methyl-1H-pyrazole-1-acetic acid is a versatile compound with potential applications in both synthetic chemistry and pharmacology.

Formula: C₈H₈N₂O₂

InChI: InChI=1S/C8H8N2O2/c1-3-7-4-10(5-8(11)12)9-6(7)2/h1,4H,5H2,2H3,(H,11,12)

InChI key: InChIKey=RTCCQZUKZLSVIN-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C=C(C#C)C(C)=N1

Synonyms:

• 4-Ethynyl-3-methyl-1H-pyrazole-1-acetic acid
• 1H-Pyrazole-1-acetic acid, 4-ethynyl-3-methyl-
• (4-Ethynyl-3-methyl-pyrazol-1-yl)-acetic acid
• 2-(4-Ethynyl-3-methyl-1H-pyrazol-1-yl)acetic acid
• (4-ethynyl-3-methyl-1{H}-pyrazol-1-yl)acetic acid