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CAS 937796-04-8

:

1-(4-isocyanatophenyl)-3,5-dimethyl-pyrazole

Description:
1-(4-Isocyanatophenyl)-3,5-dimethyl-pyrazole, identified by its CAS number 937796-04-8, is a chemical compound characterized by the presence of an isocyanate functional group and a pyrazole ring. This compound features a phenyl group substituted at the para position with an isocyanate (-N=C=O) group, which is known for its reactivity and ability to form stable urethane linkages. The pyrazole moiety contributes to the compound's potential biological activity and may influence its solubility and stability. Typically, compounds with isocyanate groups are utilized in the synthesis of polymers, pharmaceuticals, and agrochemicals due to their ability to react with nucleophiles. The presence of the dimethyl substituents on the pyrazole ring can enhance the lipophilicity and alter the electronic properties of the molecule, potentially affecting its reactivity and interaction with biological targets. Overall, this compound's unique structure suggests it may have applications in various fields, including medicinal chemistry and materials science.
Formula:C12H11N3O
InChI:InChI=1/C12H11N3O/c1-9-7-10(2)15(14-9)12-5-3-11(4-6-12)13-8-16/h3-7H,1-2H3
SMILES:Cc1cc(C)n(c2ccc(cc2)N=C=O)n1
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