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CAS 1047724-35-5

:

5-(1,1-Dimethylethyl)-2,4-dihydro-4-[(2-hydroxy-3-methoxyphenyl)methylene]-2-phenyl-3H-pyrazol-3-one

Description:
The chemical substance known as 5-(1,1-Dimethylethyl)-2,4-dihydro-4-[(2-hydroxy-3-methoxyphenyl)methylene]-2-phenyl-3H-pyrazol-3-one, with the CAS number 1047724-35-5, is a pyrazolone derivative characterized by its complex molecular structure. It features a pyrazolone core, which is a five-membered ring containing two nitrogen atoms, and is substituted with various functional groups that contribute to its chemical properties. The presence of a dimethyl group enhances its hydrophobic characteristics, while the hydroxy and methoxy groups on the phenyl ring introduce polar functionalities, potentially influencing solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of anti-inflammatory or analgesic agents. Additionally, the compound's stability, reactivity, and interaction with biological systems would depend on its specific molecular interactions, which can be further explored through experimental studies.
Formula:C21H22N2O3
InChI:InChI=1S/C21H22N2O3/c1-21(2,3)19-16(13-14-9-8-12-17(26-4)18(14)24)20(25)23(22-19)15-10-6-5-7-11-15/h5-13,24H,1-4H3
InChI key:InChIKey=LAJDXZXVXXQUBB-UHFFFAOYSA-N
SMILES:O=C1N(N=C(C(C)(C)C)C1=CC2=C(O)C(OC)=CC=C2)C3=CC=CC=C3
Synonyms:
  • 3H-Pyrazol-3-one, 5-(1,1-dimethylethyl)-2,4-dihydro-4-[(2-hydroxy-3-methoxyphenyl)methylene]-2-phenyl-
  • 5-(1,1-Dimethylethyl)-2,4-dihydro-4-[(2-hydroxy-3-methoxyphenyl)methylene]-2-phenyl-3H-pyrazol-3-one
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