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CAS 1006348-84-0

:

4-[(3-Amino-1H-pyrazol-1-yl)methyl]benzoic acid

Description:
4-[(3-Amino-1H-pyrazol-1-yl)methyl]benzoic acid, with the CAS number 1006348-84-0, is an organic compound characterized by its structural features, which include a benzoic acid moiety and a pyrazole ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of both an amino group and a carboxylic acid group. The amino group can participate in hydrogen bonding, enhancing its reactivity and potential interactions with biological systems. The compound may also display acidic properties due to the carboxylic acid functional group, which can donate protons in solution. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the pyrazole ring is often found in biologically active compounds. Additionally, the presence of both functional groups may allow for further derivatization, making it a versatile building block in organic synthesis.
Formula:C11H11N3O2
InChI:InChI=1S/C11H11N3O2/c12-10-5-6-14(13-10)7-8-1-3-9(4-2-8)11(15)16/h1-6H,7H2,(H2,12,13)(H,15,16)
InChI key:InChIKey=RZQYBTGNISQCAU-UHFFFAOYSA-N
SMILES:C(C1=CC=C(C(O)=O)C=C1)N2N=C(N)C=C2
Synonyms:
  • Benzoic acid, 4-[(3-amino-1H-pyrazol-1-yl)methyl]-
  • 4-[(3-Amino-1H-pyrazol-1-yl)methyl]benzoic acid
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