36663-00-0

Basic information

• Product Name: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
• Synonyms: 1-Phenyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde;3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
• CAS NO: 36663-00-0
• Molecular Formula: C16H11ClN2O
• Molecular Weight: 282.7243
• EINECS: 253-151-1
• Mol File: 36663-00-0.mol
• Article Data: 111

Chemical Properties

• Melting Point: 110-113 °C(Solv: water (7732-18-5))
• Boiling Point: 465.5°Cat760mmHg
• Flash Point: 235.3°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 7.65E-09mmHg at 25°C
• Refractive Index: 1.634
• PKA: -3.50±0.10(Predicted)
• CAS DataBase Reference: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde(36663-00-0)
• EPA Substance Registry System: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde(36663-00-0)

Safety Data

• Hazardous Substances Data: 36663-00-0(Hazardous Substances Data)

Usage

General Description

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde is a chemical compound with the molecular formula C15H10ClN3O. It is a pyrazole derivative with a chlorine-substituted phenyl group and a carbonyl aldehyde functional group. 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde has potential applications in organic synthesis and medicinal chemistry, where it can be used as a building block for the synthesis of other compounds or as a pharmacophore for drug design. Its specific chemical properties and potential biological activities make it a valuable tool for research and development in the fields of chemistry and pharmaceuticals. Further studies and investigations are necessary to fully understand the potential uses and effects of 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

InChI:InChI=1/C16H11ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-11H

Upstream product

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Downstream Products

• 108446-85-1 2-[3-(4-Chloro-phenyl)-1-phenyl-1H-pyrazol-4-ylmethylene]-malonic acid diethyl ester 
• 55432-14-9 3-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid 
• 108446-67-9 2-[3-(4-Chloro-phenyl)-1-phenyl-1H-pyrazol-4-ylmethylene]-malonic acid 
• 36640-39-8 4-hydroxy-methyl-1-phenyl-3-(p-chlorophenyl)-pyrazol 
• 372107-14-7 1-phenyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid 
• 370561-60-7 1-phenyl-3-(4-chlorophenyl)pyrazole-4-carboxaldehyde oxime 
• 309267-51-4 ethyl 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxylate 
• 108446-79-3 β-[3-(p-Chlorophenyl)-1-phenylpyrazol-4-yl]propionic acid 

Relevant articles and documents

Synthesis, XRD, characterization and antibacterial activity of novel α,β unsaturated carbonyl compound: (Z)-2-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one (C26H19ClN2O)

A novel organic α,β unsaturated carbonyl compound (Z)-2-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one (K) was Synthesized through Ultrasound Irradiation by the help of green solvent and grown a high quality single crystal by slow evaporation method. Structural confirmation was carried out by most acceptable spectroscopic techniques i.e. MS, IR, NMR, CMR, DSC, Crystal Structure of K was determined by single crystal X-ray Diffraction. The single crystal of K was developed in 0.40 × 0.35 × 0.30 mm dimension in EtOH:Acetone (1:2) solvent system. K crystallizes in the monoclinic crystal class in the asymmetrical space group with Z = 4. Potency of compound was assayed against four bacterial microorganisms.

PYRAZOLYLACYLPYRAZOLINE COMPOUNDS AND METHOD FOR TREATING PAIN

This invention relates to pyrazolylacylpyrazoline compounds or pharmaceutically acceptable salts thereof, and for the use of the compounds to treat neurological disorders.

Design and synthesis of novel pyrazole-phenyl semicarbazone derivatives as potential α-glucosidase inhibitor: Kinetics and molecular dynamics simulation study

A series of novel pyrazole-phenyl semicarbazone derivatives were designed, synthesized, and screened for in vitro α-glucosidase inhibitory activity. Given the importance of hydrogen bonding in promoting the α-glucosidase inhibitory activity, pharmacophore modification was established. The docking results rationalized the idea of the design. All newly synthesized compounds exhibited excellent in vitro yeast α-glucosidase inhibition (IC50 values in the range of 65.1–695.0 μM) even much more potent than standard drug acarbose (IC50 = 750.0 μM). Among them, compounds 8o displayed the most potent α-glucosidase inhibitory activity (IC50 = 65.1 ± 0.3 μM). Kinetic study of compound 8o revealed that it inhibited α-glucosidase in a competitive mode (Ki = 87.0 μM). Limited SAR suggested that electronic properties of substitutions have little effect on inhibitory potential of compounds. Cytotoxic studies demonstrated that the active compounds (8o, 8k, 8p, 8l, 8i, and 8a) compounds are also non-cytotoxic. The binding modes of the most potent compounds 8o, 8k, 8p, 8l and 8i was studied through in silico docking studies. Molecular dynamic simulations have been performed in order to explain the dynamic behavior and structural changes of the systems by the calculation of the root mean square deviation (RMSD) and root mean square fluctuation (RMSF).