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CAS 202066-14-6

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Ethyl 1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylate

Description:
Ethyl 1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a nitro group (-NO2) at the 4-position and an ethyl ester functional group at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The presence of a propyl group at the 3-position and a methyl group at the 1-position further influences its chemical properties, including solubility and polarity. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and agrochemical research. The compound's molecular structure suggests it may participate in various chemical reactions, such as nucleophilic substitutions or reductions, depending on the conditions. Its CAS number, 202066-14-6, allows for precise identification in chemical databases and literature, facilitating research and development in relevant fields.
Formula:C10H15N3O4
InChI:InChI=1S/C10H15N3O4/c1-4-6-7-8(13(15)16)9(12(3)11-7)10(14)17-5-2/h4-6H2,1-3H3
InChI key:InChIKey=KCQWFZQMMAVRHG-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C(OCC)=O)N(C)N=C1CCC
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-, ethyl ester
  • Ethyl 1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylate
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