N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide

Base Information

• Chemical Name: N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide
• CAS No.: 62597-88-0
• Molecular Formula: C₁₂H₁₀N₄O
• Molecular Weight: 226.238
• DSSTox Substance ID: DTXSID10356984
• Wikidata: Q82136648
• Mol file: 62597-88-0.mol

Synonyms:62597-88-0;BAS 02224634;N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide;SCHEMBL10618154;DTXSID10356984;AKOS000662897;SR-01000310909;SR-01000310909-1

Chemical Property of N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.08546096
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N

Technology Process of N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide

There total 4 articles about N-(4-Cyano-1-phenyl-1H-pyrazol-5-yl)acetamide 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: 32.2%

5-Amino-4-cyano-1-phenylpyrazole (5334-43-0) + acetyl chloride (75-36-5) → N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide (62597-88-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1111/cbdd.13772

Reference yield:

phenylhydrazine (100-63-0) → N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide (62597-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 12 h / Reflux

2: triethylamine / dichloromethane / 0 - 20 °C

With triethylamine; In ethanol; dichloromethane;

DOI:10.1111/cbdd.13772

Reference yield:

5-Amino-4-cyano-1-phenylpyrazole (5334-43-0) + acetic anhydride (108-24-7) → N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide (62597-88-0)

Guidance literature:

DOI:10.1021/jo01096a011

upstream raw materials:

5-Amino-4-cyano-1-phenylpyrazole

acetic anhydride

phenylhydrazine

acetyl chloride