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CAS 1017781-18-8

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1-(2,4-Dichlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine

Description:
1-(2,4-Dichlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine, with the CAS number 1017781-18-8, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a dichlorophenyl group, indicating the presence of two chlorine atoms on a phenyl ring, contributing to its potential biological activity and lipophilicity. The tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its interaction with biological targets. The presence of an amine functional group suggests potential for hydrogen bonding, which may play a role in its solubility and reactivity. This compound is often studied for its applications in pharmaceuticals, particularly in the development of agrochemicals or as a potential therapeutic agent. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Safety data and handling precautions should be consulted due to the presence of chlorine substituents, which can pose environmental and health risks.
Formula:C13H15Cl2N3
InChI:InChI=1S/C13H15Cl2N3/c1-13(2,3)11-7-12(16)18(17-11)10-5-4-8(14)6-9(10)15/h4-7H,16H2,1-3H3
InChI key:InChIKey=WRYXOQGHXKAAKN-UHFFFAOYSA-N
SMILES:NC=1N(N=C(C(C)(C)C)C1)C2=C(Cl)C=C(Cl)C=C2
Synonyms:
  • 3-tert-Butyl-1-(2,4-dichlorophenyl)-1H-pyrazol-5-amine
  • 1-(2,4-Dichlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine
  • 1H-Pyrazol-5-amine, 1-(2,4-dichlorophenyl)-3-(1,1-dimethylethyl)-
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