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CAS 87412-96-2

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1,3-dimethyl-1H-pyrazole-4-carbonitrile

Description:
1,3-Dimethyl-1H-pyrazole-4-carbonitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of two methyl groups at the 1 and 3 positions of the pyrazole ring contributes to its stability and solubility in various organic solvents. The carbonitrile functional group at the 4 position introduces a polar character to the molecule, enhancing its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is typically used in the development of agrochemicals and pharmaceuticals due to its ability to act as a building block in the synthesis of more complex molecules. It may exhibit biological activity, making it of interest in drug discovery. As with many nitrogen-containing heterocycles, it may also participate in hydrogen bonding and other intermolecular interactions, influencing its physical properties such as melting point and boiling point. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C6H7N3
InChI:InChI=1/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
SMILES:Cc1c(C#N)cn(C)n1
Synonyms:
  • 1H-pyrazole-4-carbonitrile, 1,3-dimethyl-
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