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CAS 1006950-68-0

:

1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Description:
1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-carboxylic acid, identified by its CAS number 1006950-68-0, is a chemical compound that belongs to the class of pyrazole derivatives. This substance features a pyrazole ring, which is a five-membered aromatic ring containing two nitrogen atoms. The presence of a nitro group (-NO2) at the 3-position and a carboxylic acid group (-COOH) at the 5-position contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The isopropyl group (1-methylethyl) at the 1-position enhances its lipophilicity, which may influence its biological activity and solubility properties. The compound's structural characteristics suggest it may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Additionally, the presence of functional groups such as the nitro and carboxylic acid may allow for various chemical modifications, expanding its utility in synthetic applications.
Formula:C7H9N3O4
InChI:InChI=1S/C7H9N3O4/c1-4(2)9-5(7(11)12)3-6(8-9)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=ORAAYBGNOUMNMD-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1N(C(C)C)N=C(N(=O)=O)C1
Synonyms:
  • 1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
  • 1H-Pyrazole-5-carboxylic acid, 1-(1-methylethyl)-3-nitro-
  • 1-Isopropyl-3-nitro-1H-pyrazole-5-carboxylic acid
  • 2-Isopropyl-5-nitro-2H-pyrazole-3-carboxylic acid
  • 3-Nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
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