CAS 1006348-81-7

1-[[[4-(2-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxy]methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[[[4-(2-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxy]methyl]-1H-pyrazole-3-carboxylic acid, with CAS number 1006348-81-7, is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a pyrimidine moiety, and a methoxyphenyl group. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity due to its specific functional groups. The presence of the trifluoromethyl group often enhances lipophilicity and can influence the compound's pharmacokinetic properties. Additionally, the carboxylic acid functional group may contribute to its solubility in polar solvents and its ability to participate in hydrogen bonding. Such compounds are often investigated for their potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. The specific interactions and reactivity of this compound would depend on its molecular conformation and the presence of substituents, which can significantly affect its chemical behavior and biological activity.

Formula: C₁₇H₁₃F₃N₄O₄

InChI: InChI=1S/C17H13F3N4O4/c1-27-13-5-3-2-4-10(13)12-8-14(17(18,19)20)22-16(21-12)28-9-24-7-6-11(23-24)15(25)26/h2-8H,9H2,1H3,(H,25,26)

InChI key: InChIKey=MEILCYRYHYJSHZ-UHFFFAOYSA-N

SMILES: O(C)C1=C(C=CC=C1)C2=NC(OCN3N=C(C(O)=O)C=C3)=NC(C(F)(F)F)=C2

Synonyms:

• 1-[[[4-(2-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxy]methyl]-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-[[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxy]methyl]-