CAS 137278-70-7

Ethyl 5-amino-1-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxylate

Description:

Ethyl 5-amino-1-[(4-fluorophenyl)methyl]-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 an ethyl ester functional group, contributing to its solubility and reactivity. The presence of an amino group at the 5-position and a 4-fluorophenylmethyl substituent enhances its potential for biological activity, making it of interest in medicinal chemistry. The fluorine atom in the phenyl ring can influence the compound's electronic properties and lipophilicity, potentially affecting its pharmacokinetics and interactions with biological targets. The carboxylate group can participate in hydrogen bonding and ionic interactions, which may be crucial for its activity in biological systems. Overall, this compound's unique structural features suggest it may exhibit interesting pharmacological properties, warranting further investigation in drug development and related fields.

Formula: C₁₃H₁₄FN₃O₂

InChI: InChI=1S/C13H14FN3O2/c1-2-19-13(18)11-7-16-17(12(11)15)8-9-3-5-10(14)6-4-9/h3-7H,2,8,15H2,1H3

InChI key: InChIKey=VJUSLCVJAVPQFJ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(N)N(CC2=CC=C(F)C=C2)N=C1

Synonyms:

• Ethyl 5-amino-1-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxylate
• 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-fluorophenyl)methyl]-, ethyl ester