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CAS 1245772-15-9

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Ethyl 1-(1-methylethyl)-3-nitro-1H-pyrazole-5-carboxylate

Description:
Ethyl 1-(1-methylethyl)-3-nitro-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a nitro group (-NO2) and an ethyl ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the isopropyl group (1-methylethyl) enhances its steric properties, which can influence its biological activity and solubility. Typically, compounds of this nature may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The molecular structure suggests potential for interactions with biological targets, and the nitro group may serve as a site for further chemical modifications. As with many pyrazole derivatives, this compound may also be investigated for its role in agrochemicals or as a building block in the synthesis of more complex molecules. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.
Formula:C9H13N3O4
InChI:InChI=1S/C9H13N3O4/c1-4-16-9(13)7-5-8(12(14)15)10-11(7)6(2)3/h5-6H,4H2,1-3H3
InChI key:InChIKey=RDHJKLXWZBJJNM-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1N(C(C)C)N=C(N(=O)=O)C1
Synonyms:
  • Ethyl 1-(1-methylethyl)-3-nitro-1H-pyrazole-5-carboxylate
  • 1H-Pyrazole-5-carboxylic acid, 1-(1-methylethyl)-3-nitro-, ethyl ester
  • 2-Isopropyl-5-nitro-2H-pyrazole-3-carboxylic acid ethyl ester
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