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CAS 875554-79-3

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3-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile

Description:
3-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a cyano group (-C≡N) at the 4-position of the pyrazole contributes to its reactivity and potential applications in various chemical reactions. The tert-butyl group (1,1-dimethylethyl) at the 3-position enhances the compound's lipophilicity and steric bulk, which can influence its biological activity and solubility in organic solvents. This compound is often studied for its potential use in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. Its CAS number, 875554-79-3, uniquely identifies it in chemical databases, facilitating research and regulatory compliance. Overall, the combination of its structural features makes it a compound of interest in both synthetic and applied chemistry contexts.
Formula:C8H11N3
InChI:InChI=1S/C8H11N3/c1-8(2,3)7-6(4-9)5-10-11-7/h5H,1-3H3,(H,10,11)
InChI key:InChIKey=LGZGLUKZDQJDPY-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1C(C#N)=CNN1
Synonyms:
  • 3-tert-Butyl-1H-pyrazole-4-carbonitrile
  • 3-tert-Butyl-4-cyanopyrazole
  • 1H-Pyrazole-4-carbonitrile, 3-(1,1-dimethylethyl)-
  • 3-(1,1-Dimethylethyl)-1H-pyrazole-4-carbonitrile
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