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CAS 39658-16-7

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3-Methyl-1-propyl-1H-pyrazole-5-carboxylic acid

Description:
3-Methyl-1-propyl-1H-pyrazole-5-carboxylic acid 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 a propyl group on the pyrazole ring influences its solubility and reactivity, making it a potentially useful intermediate in organic synthesis. The molecular structure allows for various interactions, including hydrogen bonding, which can affect its physical properties such as melting point and boiling point. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Its CAS number, 39658-16-7, uniquely identifies it in chemical databases, facilitating its study and application in various fields, including medicinal chemistry and agrochemicals. Overall, 3-Methyl-1-propyl-1H-pyrazole-5-carboxylic acid is a versatile compound with potential applications in both research and industry.
Formula:C8H12N2O2
InChI:InChI=1S/C8H12N2O2/c1-3-4-10-7(8(11)12)5-6(2)9-10/h5H,3-4H2,1-2H3,(H,11,12)
InChI key:InChIKey=VCTGBSMNCRUPCF-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1N(CCC)N=C(C)C1
Synonyms:
  • 3-Methyl-1-propyl-1H-pyrazole-5-carboxylic acid
  • 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-propyl-
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