CAS 477710-91-1

1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazole

Description:

1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazole, identified by its CAS number 477710-91-1, is a synthetic organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a dimethyl substitution at the 1 and 3 positions of the pyrazole ring, enhancing its lipophilicity and potentially influencing its biological activity. The presence of a phenoxy group at the 5 position contributes to its structural diversity and may affect its interaction with biological targets. Additionally, the 2-nitroethenyl substituent at the 4 position introduces a reactive double bond and a nitro group, which can participate in various chemical reactions, potentially leading to applications in medicinal chemistry or agrochemicals. The compound's unique structure suggests it may exhibit interesting pharmacological properties, although specific biological activities would require further investigation through empirical studies. Overall, its distinct functional groups and structural features make it a compound of interest in the field of organic synthesis and drug development.

Formula: C₁₃H₁₃N₃O₃

InChI: InChI=1S/C13H13N3O3/c1-10-12(8-9-16(17)18)13(15(2)14-10)19-11-6-4-3-5-7-11/h3-9H,1-2H3

InChI key: InChIKey=RDEOPWIRRUUEGY-UHFFFAOYSA-N

SMILES: O(C1=C(C=CN(=O)=O)C(C)=NN1C)C2=CC=CC=C2

Synonyms:

• 1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazole
• 1H-Pyrazole, 1,3-dimethyl-4-(2-nitroethenyl)-5-phenoxy-