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CAS 88585-26-6

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1-Ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-3H-pyrazol-3-one

Description:
1-Ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-3H-pyrazol-3-one is a chemical compound characterized by its pyrazolone structure, which features a five-membered ring containing two nitrogen atoms. This compound typically exhibits a yellow to orange color due to the presence of the nitrophenyl group, which can influence its electronic properties and reactivity. It is likely to be soluble in organic solvents, reflecting the presence of both hydrophobic and polar functional groups. The compound may exhibit biological activity, potentially serving as a pharmacophore in medicinal chemistry, although specific biological properties would depend on further empirical studies. Its molecular structure suggests potential applications in fields such as agrochemicals or pharmaceuticals, where pyrazolone derivatives are often explored for their analgesic or anti-inflammatory properties. Additionally, the presence of the nitro group may impart unique reactivity, making it a candidate for further chemical modifications or reactions. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity.
Formula:C12H13N3O3
InChI:InChI=1/C12H13N3O3/c1-3-13-9(2)8-12(16)14(13)10-4-6-11(7-5-10)15(17)18/h4-8H,3H2,1-2H3
InChI key:InChIKey=GAIPWDYZJUSNKM-UHFFFAOYSA-N
SMILES:C(C)N1N(C(=O)C=C1C)C2=CC=C(N(=O)=O)C=C2
Synonyms:
  • NSC 158104
  • 1-Ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-3H-pyrazol-3-one
  • 3H-Pyrazol-3-one, 1-ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-
  • 1-Ethyl-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
  • See more synonyms
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