CAS 1171016-90-2

1H-Pyrazol-3-ol, 5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-, 3-methanesulfonate

Description:

1H-Pyrazol-3-ol, 5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-, 3-methanesulfonate, identified by CAS number 1171016-90-2, is a chemical compound characterized by its pyrazole core structure, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl group at the 5-position and a complex substituent at the 4-position, which includes a phenyl group with an ethoxy side chain. The presence of a methanesulfonate group indicates that it is a sulfonate ester, which can enhance its solubility in polar solvents and may influence its reactivity and biological activity. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can participate in various chemical reactions. Additionally, the specific arrangement of substituents may confer unique properties, such as altered lipophilicity or binding affinity to biological targets. Overall, this compound exemplifies the complexity and diversity of organic molecules used in chemical research and drug development.

Formula: C₁₅H₂₀N₂O₄S

InChI: InChI=1S/C15H20N2O4S/c1-10(2)20-13-7-5-12(6-8-13)9-14-11(3)16-17-15(14)21-22(4,18)19/h5-8,10H,9H2,1-4H3,(H,16,17)

InChI key: InChIKey=MTNDMPFLTMUBCU-UHFFFAOYSA-N

SMILES: C(C=1C(OS(C)(=O)=O)=NNC1C)C2=CC=C(OC(C)C)C=C2

Synonyms:

• 1H-Pyrazol-3-ol, 5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-, 3-methanesulfonate