Pyrazolo[1,5-a]pyrimidine-3-carboxamide

Base Information

• Chemical Name: Pyrazolo[1,5-a]pyrimidine-3-carboxamide
• CAS No.: 774549-55-2
• Molecular Formula: C7H6 N4 O
• Molecular Weight: 162.151
• DSSTox Substance ID: DTXSID00589562
• Nikkaji Number: J3.453.297D
• Wikidata: Q82483011
• Mol file: 774549-55-2.mol

Synonyms:pyrazolo[1,5-a]pyrimidine-3-carboxamide;774549-55-2;pyrazolo(1,5-a)pyrimidine-3-carboxamide;Pyrazolo[1,5-a]pyrimidine-3-carboxamide (9CI);SCHEMBL946897;DTXSID00589562;XMRIUEGHBZTNND-UHFFFAOYSA-N;AKOS003355668;BS-18121;DB-266687;CS-0080893;D70725;EN300-7459943

Chemical Property of Pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Property:

• PKA: 12.48±0.50(Predicted)
• PSA: 74.27000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 0.71240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

NLT 98% ^*data from raw suppliers

Pyrazolo[1,5-a]pyrimidine-3-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=C(C=N2)C(=O)N)N=C1

Technology Process of Pyrazolo[1,5-a]pyrimidine-3-carboxamide

There total 3 articles about Pyrazolo[1,5-a]pyrimidine-3-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: 90.0%

pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (937602-40-9) → pyrazolo[1,5-a]pyrimidine-3-carboxamide (774549-55-2)

Guidance literature:

With ammonia; In tetrahydrofuran; at 25 ℃; for 5h; Inert atmosphere;

Reference yield:

pyrazolo[1,5-a] pyrimidine-3-carboxylic acid (25940-35-6) → pyrazolo[1,5-a]pyrimidine-3-carboxamide (774549-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / 100 °C / Inert atmosphere

2: ammonia / tetrahydrofuran / 5 h / 25 °C / Inert atmosphere

With thionyl chloride; ammonia; In tetrahydrofuran;

Reference yield:

pyrazolo[1,5-a] pyrimidine-3-carboxylic acid methyl ester → pyrazolo[1,5-a]pyrimidine-3-carboxamide (774549-55-2)

Guidance literature:

Multi-step reaction with 3 steps

1: water; sodium hydroxide / methanol

2: thionyl chloride / dichloromethane; N,N-dimethyl-formamide

3: potassium hydroxide; ammonium chloride / water

With thionyl chloride; water; ammonium chloride; potassium hydroxide; sodium hydroxide; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

pyrazolo[1,5-a] pyrimidine-3-carboxylic acid

pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

Downstream raw materials:

N-(3-(5-chloro-2-(difluoromethoxy)phenyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

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