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CAS 149139-43-5

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1-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile

Description:
1-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile, with the CAS number 149139-43-5, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a tert-butyl group (1,1-dimethylethyl) attached to the pyrazole, contributing to its hydrophobic properties. The presence of a cyano group (-C≡N) at the 4-position of the pyrazole ring enhances its reactivity and potential applications in various chemical reactions. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. This compound is of interest in the field of agrochemicals and pharmaceuticals, often studied for its biological activity and potential as a building block in synthetic chemistry. Its stability and reactivity can be influenced by the electronic effects of the substituents on the pyrazole ring, making it a valuable compound for further research and development in medicinal chemistry and related fields.
Formula:C8H11N3
InChI:InChI=1S/C8H11N3/c1-8(2,3)11-6-7(4-9)5-10-11/h5-6H,1-3H3
InChI key:InChIKey=MPAMGIZXDRTXEW-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C=C(C#N)C=N1
Synonyms:
  • 1-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile
  • 1H-Pyrazole-4-carbonitrile, 1-(1,1-dimethylethyl)-
  • 1-(tert-Butyl)-1H-pyrazole-4-carbonitrile
  • 1-tert-Butyl-1H-pyrazole-4-carbonitrile
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