3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile
• CAS No.: 122799-98-8
• Molecular Formula: C₉H₁₂N₄
• Molecular Weight: 176.221
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00561944
• Wikidata: Q82445885
• Mol file: 122799-98-8.mol

Synonyms:3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile;122799-98-8;3-amino-1-cyclopentylpyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile, 3-amino-1-cyclopentyl-;SCHEMBL174443;DTXSID00561944;JWFXBAXRJTXECX-UHFFFAOYSA-N;AM9819;MFCD11040167;AKOS006306794;DS-0395;FS-2803;CS-0137253;A890954

Chemical Property of 3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 2.01E-06mmHg at 25°C
• Boiling Point: 394.2oC at 760 mmHg
• Flash Point: 192.2oC
• PSA: 67.63000
• Density: 1.36g/cm3
• LogP: 2.03328
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.106196400
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)N2C=C(C(=N2)N)C#N

Technology Process of 3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

There total 3 articles about 3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile 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: 65.0%

Cyclopentyl bromide (137-43-9) + 3-Amino-4-cyanopyrazole (16617-46-2,882231-01-8) → 5-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (30929-67-0) + 3-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (122799-98-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 6h;

Reference yield: 50.0%

3-Amino-4-cyanopyrazole (16617-46-2,882231-01-8) → 3-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (122799-98-8)

Guidance literature:

With adogen 464; potassium carbonate; In toluene; Heating;

DOI:10.1021/jm00132a012

Reference yield: 25.0%

Cyclopentyl bromide (137-43-9) + 3-Amino-4-cyanopyrazole (16617-46-2,882231-01-8) → 3-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (122799-98-8)

Guidance literature:

With potassium carbonate; at 80 ℃;

upstream raw materials:

3-Amino-4-cyanopyrazole

Cyclopentyl bromide

Downstream raw materials:

3-(4-Chloro-2-nitroanilino)-1-cyclopentylpyrazole-4-carbonitrile