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CAS 113100-42-8

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3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

Description:
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid, identified by its CAS number 113100-42-8, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of a methyl group and an isopropyl group on the pyrazole ring enhances its hydrophobic characteristics, potentially influencing its solubility and reactivity in various solvents. The compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity can be influenced by the functional groups present. It may participate in various chemical reactions typical of carboxylic acids, such as esterification or amidation. Additionally, due to its structural features, it may have applications in pharmaceuticals or agrochemicals, where pyrazole derivatives are often explored for their biological activities. Overall, this compound represents a unique combination of structural elements that may confer specific chemical and physical properties.
Formula:C8H12N2O2
InChI:InChI=1/C8H12N2O2/c1-5(2)10-4-7(8(11)12)6(3)9-10/h4-5H,1-3H3,(H,11,12)
InChI key:JOTOIXQDQQRWDI-UHFFFAOYSA-N
SMILES:CC(C)n1cc(c(C)n1)C(=O)O
Synonyms:
  • 1H-pyrazole-4-carboxylic acid, 3-methyl-1-(1-methylethyl)-
  • 1-Isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid
Found 3 products.