3-Acetylaminopyrazole

Base Information

• Chemical Name: 3-Acetylaminopyrazole
• CAS No.: 3553-12-6
• Molecular Formula: C5H7 N3 O
• Molecular Weight: 125.13
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40380550
• Wikidata: Q82170825
• Mol file: 3553-12-6.mol

Synonyms:3-Acetylaminopyrazole;3-Acetamidopyrazole;3553-12-6;N-(1H-pyrazol-5-yl)acetamide;N-(1H-Pyrazol-3-yl)acetamide;N-1H-Pyrazol-5-ylacetamide;Acetamide, N-1H-pyrazol-3-yl-;N1-(1H-Pyrazol-5-yl)acetamide;5-acetamidopyrazole;(acetylamino)pyrazole;N-1H-pyrazol-3-ylacetamide;SCHEMBL50346;n-(1h-pyrazol-3-yl)-acetamide;DTXSID40380550;CSSKIQUMIWCMJR-UHFFFAOYSA-N;BBL011213;MFCD00122286;MFCD09702442;STK934605;AKOS003673825;AKOS009158447;SY013182;TS-01641;CS-0206105;FT-0706171;W-200578

Chemical Property of 3-Acetylaminopyrazole

Chemical Property:

• Vapor Pressure: 2.83E-08mmHg at 25°C
• Melting Point: 223-224 °C
• Refractive Index: 1.62
• Boiling Point: 449.6°Cat760mmHg
• PKA: 12.32±0.10(Predicted)
• Flash Point: 225.7°C
• PSA: 57.78000
• Density: 1.33g/cm³
• LogP: 0.44110
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

N1-(1H-Pyrazol-5-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=NN1

Technology Process of 3-Acetylaminopyrazole

There total 7 articles about 3-Acetylaminopyrazole 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: 98.0%

3-aminopyrazole (1820-80-0,916420-28-5) + acetic anhydride (108-24-7) → N-(1H-pyrazol-3-yl)acetamide (3553-12-6)

Guidance literature:

In ethyl acetate; at 45 ℃; for 6h;

Reference yield: 68.96%

N-(1-benzyl-1H-pyrazol-3-yl)-acetamide (72159-21-8) → N-(1H-pyrazol-3-yl)acetamide (3553-12-6)

Guidance literature:

With hydrogenchloride; 20% palladium hydroxide-activated charcoal; hydrogen; In methanol; at 20 ℃; for 16h; under 2068.65 Torr;

Reference yield:

acetyl chloride (75-36-5) + 3(5)-aminopyrazole (1225387-53-0) → N-(1H-pyrazol-5-yl)acetamide (3553-12-6)

Guidance literature:

acetyl chloride; 3⁽⁵⁾-aminopyrazole; With 4-methyl-morpholine; In dichloromethane; at 0 - 20 ℃; for 24h; Inert atmosphere;

With water; sodium hydroxide; In methanol; dichloromethane; at 0 - 20 ℃; for 1.5h;

upstream raw materials:

3-aminopyrazole

acetic anhydride

N-(1-benzyl-1H-pyrazol-3-yl)-acetamide

3⁽⁵⁾-aminopyrazole

Downstream raw materials:

N-(4-nitro-1⁽²⁾H-pyrazol-3-yl)-acetamide

N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide

N-{1-[(2,6-difluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide

N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide

Refernces

• 1、 -. "Pyrrolidinone derivative as glucokinase activator and preparation method and application thereof". Paragraph 0129-0132. . Retrieved 2021/10/13.
• 2、 -. "TYK2 INHIBITORS AND USES THEREOF". Paragraph 00945. . Retrieved 2017/03/21.