618098-45-6

Basic information

• Product Name: 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE
• Synonyms: 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE;SALOR-INT L320315-1EA;3-(4-FLUOROPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
• CAS NO: 618098-45-6
• Molecular Formula: C17H13FN2O
• Molecular Weight: 280.3
• Mol File: 618098-45-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE(618098-45-6)
• EPA Substance Registry System: 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE(618098-45-6)

Safety Data

• Hazardous Substances Data: 618098-45-6(Hazardous Substances Data)

Upstream product

• 68-12-2 N,N-dimethyl-formamide 
• 637-60-5 p-tolylhydrazine hydrochloride 
• 403-42-9 1-(4-fluorophenyl)ethanone 

Relevant articles and documents

Design, synthesis, biological evaluation, and molecular docking studies of some novel N,N-dimethylaminopropoxy-substituted aurones

In continuation of our ongoing research on the discovery of novel and potentially bioactive aurones, we have designed and synthesized some novel N,N-dimethylaminopropoxy-substituted pyrazole-based aurones 10(a-l). These pyrazole-benzofuranone hybrid compounds were characterized by using their IR, 1H-NMR, 13C-NMR, and mass spectrometry data. Compound 10c was used as a model to further explicate the structure of tilted compounds by means of 1H-1H COSY, 1H-13C HMQC, 1H-13C HMBC, 1H-1H TOCSY, 1H-1H NOSEY, DEPT-45°, DEPT-90°, and DEPT-135° NMR spectra. The comparative molecular docking study of N,N-dimethylaminopropoxy-substituted pyrazole-based aurones and standard drugs (Ampicillin and Chloramphenicol) against Bacillus subtilis (PDB: 6tzp) active site was performed to determine the binding interactions, binding energy, and orientation of the molecules at the active site of the target protein. Out of these synthesized compounds, five best analogs (10b, 10f, 10h, 10k, and 10l) of docking results were also evaluated for their in vitro antibacterial potential against Bacillus subtilis to validate the docking results.