88095-61-8

Basic information

• Product Name: 1-Benzyl-4-nitro-1H-pyrazole
• Synonyms: 1-Benzyl-4-nitro-1H-pyrazole;1-Benzyl-4-nitropyrazole;4-nitro-1-(phenylmethyl)pyrazole
• CAS NO: 88095-61-8
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.2
• Mol File: 88095-61-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 56-58°C
• Boiling Point: 379.9°C at 760 mmHg
• Flash Point: 183.6°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 1.24E-05mmHg at 25°C
• Refractive Index: 1.632
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-Benzyl-4-nitro-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzyl-4-nitro-1H-pyrazole(88095-61-8)
• EPA Substance Registry System: 1-Benzyl-4-nitro-1H-pyrazole(88095-61-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 88095-61-8(Hazardous Substances Data)

Usage

Description

1-Benzyl-4-nitro-1H-pyrazole is a chemical compound characterized by the molecular formula C10H9N3O2. It is a nitro-substituted pyrazole derivative, featuring a five-membered ring composed of four carbon atoms and one nitrogen atom, with a benzyl group and a nitro group attached. 1-Benzyl-4-nitro-1H-pyrazole has garnered interest for its potential applications in pharmaceuticals and agrochemicals due to its wide range of biological activities, such as anti-inflammatory, antiviral, antitumor, and insecticidal properties. Additionally, it has been studied for its capacity to serve as a ligand for metal complexation and as a precursor in the synthesis of other biologically active compounds. The unique chemical structure and properties of 1-Benzyl-4-nitro-1H-pyrazole render it a valuable building block for the development of innovative drugs and agrochemicals.

Uses

Used in Pharmaceutical Industry:
1-Benzyl-4-nitro-1H-pyrazole is utilized as a pharmaceutical agent for its diverse biological activities, including its anti-inflammatory, antiviral, and antitumor properties. Its potential to modulate various biological pathways and target specific diseases makes it a promising candidate for the development of new therapeutics.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Benzyl-4-nitro-1H-pyrazole is employed as an insecticidal agent, leveraging its insecticidal properties to control and manage pest populations in agricultural settings.
Used as a Ligand for Metal Complexation:
1-Benzyl-4-nitro-1H-pyrazole is used as a ligand in the formation of metal complexes, which can exhibit unique chemical and physical properties. This application is valuable in various fields, including catalysis, materials science, and medicinal chemistry.
Used as a Precursor in Synthesis:
1-Benzyl-4-nitro-1H-pyrazole also serves as a precursor in the synthesis of other biologically active compounds, contributing to the development of novel pharmaceuticals and agrochemicals with improved efficacy and selectivity.
Overall, the multifaceted applications of 1-Benzyl-4-nitro-1H-pyrazole underscore its significance as a versatile chemical entity with broad implications in both medicinal and agricultural chemistry.

InChI:InChI=1/C10H9N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2

Upstream product

• 2075-46-9 4-nitro-1H-pyrazole 
• 620-05-3 iodomethylbenzene 
• 50877-42-4 1-benzyl-4-iodo-1H-pyrazole 
• 100-39-0 benzyl bromide 

Downstream Products

• 1557233-35-8 N-(1-benzyl-1H-pyrazol-4-yl)-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f ]indazole-3-carboxamide 
• 1557232-37-7 N-(1-benzyl-1H-pyrazol-4-yl)-1,4,5,7-tetrahydrospiro[indazole-6,3'-oxetane]-3-carboxamide 
• 1557232-34-4 N-(1-benzyl-1H-pyrazol-4-yl)-1',4',5',7'-tetrahydrospiro[cyclopropane-1,6'-indazole]-3'-carboxamide 
• 1557232-63-9 N-(1-benzyl-1H-pyrazol-4-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 
• 1557232-13-9 N-(1-benzyl-1H-pyrazol-4-yl)-5,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 
• 1557232-08-2 N-(1-benzyl-1H-pyrazol-4-yl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 
• 1557235-76-3 (6R)-N-(1-benzyl-1H-pyrazol-4-yl)-1',4,4',5,5',7'-hexahydro-2H-spiro[furan-3,6'-indazole]-3'-carboxamide 
• 1557235-77-4 (6S)-N-(1-benzyl-1H-pyrazol-4-yl)-1',4,4',5,5',7'-hexahydro-2H-spiro[furan-3,6'-indazole]-3'-carboxamide 
• 1557232-69-5 (6S)-N-(1-benzyl-1H-pyrazol-4-yl)-6-(hydroxymethyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 
• 1557232-67-3 (6R)-N-(1-benzyl-1H-pyrazol-4-yl)-6-(hydroxymethyl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 
• 1557234-60-2 (6R)-N-(1-benzyl-1H-pyrazol-4-yl)-6-methoxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 

Relevant articles and documents

Design and synthesis of anti-tumor compounds containing ferulic acid-pyrazole skeleton

The invention discloses design and a preparation method of an anti-tumor compound containing a ferulic acid-pyrazole skeleton. The structure of the anti-tumor compound is shown as a formula in the specification.

Design, synthesis, and biological evaluation of pyrazole derivatives containing acetamide bond as potential BRAFV600E inhibitors

With the increasingly acquired resistance, relapse and side effects of known marketed BRAFV600E inhibitors, it's significant to design the more effective and novel drugs. In this study, a series of novel pyrazole derivatives containing acetamid

C-H arylation of nitroimidazoles and nitropyrazoles guided by the electronic effect of the nitro group

A palladium-catalyzed C-H arylation reaction of nitroimidazoles and nitropyrazoles was developed using aryl bromides as arene donors. The electron-withdrawing effect of the nitro group allows for direct C-H arylation reactions of the nitro diazoles with h