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

General Description

1-Benzyl-4-nitro-1H-pyrazole is a chemical compound with the molecular formula C10H9N3O2. It is a nitro-substituted pyrazole derivative, which means it contains a five-membered ring of four carbon atoms and one nitrogen atom, with a benzyl group and a nitro group attached to it. 1-Benzyl-4-nitro-1H-pyrazole has been studied for its potential use in pharmaceuticals and agrochemicals due to its diverse biological activities, including anti-inflammatory, antiviral, antitumor, and insecticidal properties. It has also been investigated for its ability to act as a ligand for metal complexation and as a precursor for the synthesis of other biologically active compounds. The chemical structure and properties of 1-Benzyl-4-nitro-1H-pyrazole make it a valuable building block for the development of new drugs and agrochemicals.

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

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 

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

Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible t-cell kinase inhibitors

Interleukin-2 inducible T-cell kinase (ITK), a member of the Tec family of tyrosine kinases, plays a major role in T-cell signaling downstream of the T-cell receptor (TCR), and considerable efforts have been directed toward discovery of ITK-selective inhibitors as potential treatments of inflammatory disorders such as asthma. Using a previously disclosed indazole series of inhibitors as a starting point, and using X-ray crystallography and solubility forecast index (SFI) as guides, we evolved a series of tetrahydroindazole inhibitors with improved potency, selectivity, and pharmaceutical properties. Highlights include identification of a selectivity pocket above the ligand plane, and identification of appropriate lipophilic substituents to occupy this space. This effort culminated in identification of a potent and selective ITK inhibitor (GNE-9822) with good ADME properties in preclinical species.