CAS 1006442-44-9

3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid

Description:

3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid, with the CAS number 1006442-44-9, is a complex organic compound characterized by its multi-functional groups, including a pyrazole ring, an amino group, and a cyanoacrylic acid moiety. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of polar functional groups, and it may display biological activity, making it of interest in medicinal chemistry. The bromophenyl substituent can influence its electronic properties and reactivity, potentially enhancing its interaction with biological targets. The presence of the cyano group suggests potential for nucleophilic reactions, while the carboxylic acid functionality may participate in hydrogen bonding and contribute to its acidity. Overall, this compound's structural complexity and functional diversity make it a candidate for further research in drug development and synthetic chemistry.

Formula: C₁₆H₁₃BrN₄O₃

InChI: InChI=1S/C16H13BrN4O3/c17-13-3-1-2-10(7-13)15-12(6-11(8-18)16(23)24)9-21(20-15)5-4-14(19)22/h1-3,6-7,9H,4-5H2,(H2,19,22)(H,23,24)

InChI key: InChIKey=QVKSNNDFNVQWID-UHFFFAOYSA-N

SMILES: C(=C(C(O)=O)C#N)C=1C(=NN(CCC(N)=O)C1)C2=CC(Br)=CC=C2

Synonyms:

• 3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid
• 2-Propenoic acid, 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-
• 3-[3-(3-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
• 3-(1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl)-2-cyanoacrylic acid