N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide

Base Information

• Chemical Name: N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide
• CAS No.: 890764-36-0
• Molecular Formula: C₂₂H₁₆N₄O₃
• Molecular Weight: 384.394
• European Community (EC) Number: 415-520-7
• ChEMBL ID: CHEMBL411221
• DSSTox Substance ID: DTXSID60469437
• Pharos Ligand ID: SVN8A5ARMN61
• Wikidata: Q27089198
• Mol file: 890764-36-0.mol

Synonyms:4-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide;N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide;VU-29 compound

Chemical Property of N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide

Chemical Property:

• Melting Point: 221-223℃
• PSA: 92.74000
• Density: 1.30
• LogP: 5.29600
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 384.12224039
• Heavy Atom Count: 29
• Complexity: 561

Purity/Quality:

97% ^*data from raw suppliers

VU 29 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
• Uses: DPAP is a potent, postive allosteric, potentiator at mGluR-5.

Technology Process of N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide

There total 1 articles about N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

1,3-diphenyl-1H-pyrazol-5-amine (5356-71-8) + 4-nitro-benzoyl chloride (122-04-3) → N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide (890764-36-0)

Guidance literature:

In dichloromethane; at 0 - 10 ℃; Inert atmosphere;

DOI:10.1002/jhet.343

upstream raw materials:

1,3-diphenyl-1H-pyrazol-5-amine

4-nitro-benzoyl chloride