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CAS 110086-11-8

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4-Chloro-5-(1,1-dimethylethyl)-1H-pyrazol-3-amine

Description:
4-Chloro-5-(1,1-dimethylethyl)-1H-pyrazol-3-amine is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a chloro substituent at the 4-position and a tert-butyl group at the 5-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its biological activity. The amine functional group at the 3-position enhances its reactivity, allowing for further chemical modifications. Its molecular structure suggests it may exhibit hydrophobic characteristics due to the bulky tert-butyl group, influencing its solubility in various solvents. Additionally, the compound's stability and reactivity can be affected by the presence of the chlorine atom, which can participate in nucleophilic substitution reactions. Overall, 4-Chloro-5-(1,1-dimethylethyl)-1H-pyrazol-3-amine is a versatile compound with significant implications in synthetic chemistry and material science.
Formula:C7H12ClN3
InChI:InChI=1S/C7H12ClN3/c1-7(2,3)5-4(8)6(9)11-10-5/h1-3H3,(H3,9,10,11)
InChI key:InChIKey=VDNJBLGXCALLQB-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=C(Cl)C(N)=NN1
Synonyms:
  • 4-Chloro-5-(1,1-dimethylethyl)-1H-pyrazol-3-amine
  • 1H-Pyrazol-3-amine, 4-chloro-5-(1,1-dimethylethyl)-
  • 3-Amino-4-chloro-5-tert-butylpyrazole
  • 5-Amino-tert-butyl-4-chloropyrazole
  • 3-tert-Butyl-4-chloro-1H-pyrazol-5-amine
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