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CAS 5589-97-9

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3-(3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile

Description:
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanenitrile, with the CAS number 5589-97-9, is an organic compound characterized by its pyrazole ring and a nitrile functional group. The presence of the 3,5-dimethyl substituents on the pyrazole ring contributes to its unique chemical properties, including potential steric hindrance and electronic effects that can influence reactivity. This compound typically appears as a solid or liquid at room temperature, depending on its specific formulation and purity. It is soluble in polar organic solvents, which is common for compounds containing nitrile groups. The nitrile functional group (-C≡N) is known for its ability to participate in various chemical reactions, including nucleophilic additions and cycloadditions. Additionally, the pyrazole moiety can engage in hydrogen bonding and coordination with metal ions, making it of interest in coordination chemistry and medicinal chemistry. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis.
Formula:C8H11N3
InChI:InChI=1/C8H11N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3,5H2,1-2H3
InChI key:ICIVXBSKIBYPHR-UHFFFAOYSA-N
SMILES:Cc1cc(C)n(CCC#N)n1
Synonyms:
  • 1H-Pyrazole-1-propanenitrile, 3,5-dimethyl-
  • 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanenitrile
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