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CAS 400877-60-3

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1-[(4-Methylphenyl)methyl]-4-nitro-1H-pyrazole

Description:
1-[(4-Methylphenyl)methyl]-4-nitro-1H-pyrazole, identified by its CAS number 400877-60-3, is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 4-methylphenyl group attached to a methyl group on one nitrogen of the pyrazole, and a nitro group (-NO2) at the 4-position of the pyrazole ring. The presence of the methylphenyl group contributes to its hydrophobic characteristics, while the nitro group introduces polarity, influencing its solubility and reactivity. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and drug development. The molecular structure suggests potential interactions with biological targets, and its synthesis may involve standard organic reactions such as nucleophilic substitutions or coupling reactions. Safety and handling precautions should be observed, as nitro compounds can be sensitive and may pose health risks.
Formula:C11H11N3O2
InChI:InChI=1S/C11H11N3O2/c1-9-2-4-10(5-3-9)7-13-8-11(6-12-13)14(15)16/h2-6,8H,7H2,1H3
InChI key:InChIKey=LWRGNXGRIFXGAI-UHFFFAOYSA-N
SMILES:C(N1C=C(N(=O)=O)C=N1)C2=CC=C(C)C=C2
Synonyms:
  • 1-(4-Methyl-benzyl)-4-nitro-1H-pyrazole
  • 1H-Pyrazole, 1-[(4-methylphenyl)methyl]-4-nitro-
  • 1-[(4-Methylphenyl)methyl]-4-nitro-1H-pyrazole
  • 1-[(4-Methylphenyl)methyl]-4-nitropyrazole
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