CAS 121716-18-5

Methyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate

Description:

Methyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylate group, which contributes to its acidic properties, and an amino group that can participate in hydrogen bonding, enhancing its reactivity and solubility in polar solvents. The presence of a 3-fluorophenyl substituent introduces a fluorine atom, which can influence the compound's electronic properties and biological activity. Methyl esters, like this compound, are often used in organic synthesis and medicinal chemistry due to their ability to undergo hydrolysis to yield carboxylic acids. The compound's structure suggests potential applications in pharmaceuticals, particularly in the development of agents targeting specific biological pathways. Its unique combination of functional groups may also impart specific pharmacokinetic and pharmacodynamic properties, making it a subject of interest in drug discovery and development.

Formula: C₁₁H₁₀FN₃O₂

InChI: InChI=1S/C11H10FN3O2/c1-17-11(16)9-6-14-15(10(9)13)8-4-2-3-7(12)5-8/h2-6H,13H2,1H3

InChI key: InChIKey=QBBRSYOFRZQTBG-UHFFFAOYSA-N

SMILES: NC=1N(N=CC1C(OC)=O)C2=CC(F)=CC=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(3-fluorophenyl)-, methyl ester
• Methyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate

methyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate

CAS: 121716-18-5

Formula: C₁₁H₁₀FN₃O₂

Purity: 95.0%

Molecular weight: 235.218

Ref: 10-F524965