N-benzyl-4-nitro-1H-pyrazole-5-carboxamide

Base Information

• Chemical Name: N-benzyl-4-nitro-1H-pyrazole-5-carboxamide
• CAS No.: 405278-65-1
• Molecular Formula: C₁₁H₁₀N₄O₃
• Molecular Weight: 246.225
• DSSTox Substance ID: DTXSID50350704
• Wikidata: Q82126781
• Mol file: 405278-65-1.mol

Synonyms:405278-65-1;n-benzyl-4-nitro-1h-pyrazole-3-carboxamide;N-benzyl-4-nitro-1H-pyrazole-5-carboxamide;ST4062331;Oprea1_396548;SCHEMBL4289254;DTXSID50350704;STK764457;AKOS001740744;EU-0086045;FT-0744820;N~5~-benzyl-4-nitro-1H-pyrazole-5-carboxamide;SR-01000532393;SR-01000532393-1

Chemical Property of N-benzyl-4-nitro-1H-pyrazole-5-carboxamide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.07529019
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=C(C=NN2)[N+](=O)[O-]

Technology Process of N-benzyl-4-nitro-1H-pyrazole-5-carboxamide

There total 2 articles about N-benzyl-4-nitro-1H-pyrazole-5-carboxamide 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: 82.0%

→ N-benzyl-4-nitro-1H-pyrazole-3-carboxamide (405278-65-1)

Guidance literature:

Reference yield: 77.0%

benzylamine (100-46-9) + 4-nitro-1H-pyrazole-5-carboxylic acid (5334-40-7) → N-benzyl-4-nitro-1H-pyrazole-5-carboxamide (405278-65-1)

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.3987/COM-08-11482

Reference yield:

N-benzyl-4-nitro-1H-pyrazole-5-carboxamide (405278-65-1) → C11H12N4O (906087-54-5,915372-03-1)

Guidance literature:

With sodium tetrahydroborate; 10% Pd on charcoal; In methanol; water; at 20 ℃; Cooling with ice;

DOI:10.3987/COM-08-11482

upstream raw materials:

benzylamine

4-nitro-1H-pyrazole-5-carboxylic acid

Downstream raw materials:

C₁₁H₁₂N₄O