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

Base Information

• Chemical Name: 5-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile
• CAS No.: 30929-67-0
• Molecular Formula: C9H12N4
• Molecular Weight: 176.21800
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20591768
• Wikidata: Q82485632
• Mol file: 30929-67-0.mol

Synonyms:5-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile;30929-67-0;5-AMINO-1-CYCLOPENTYLPYRAZOLE-4-CARBONITRILE;1H-Pyrazole-4-carbonitrile, 5-amino-1-cyclopentyl-;SCHEMBL1665273;DTXSID20591768;SSDLXWBYRZAWIP-UHFFFAOYSA-N;MFCD14609419;AKOS010517063;SY199567;DB-349808;CS-0214906;5-amino-1-cyclopentyl-pyrazole-4-carbonitrile;EN300-202941;A1-28904

Chemical Property of 5-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• PSA: 67.63000
• LogP: 2.03328
• Storage Temp.: 2-8°C
• 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:

98% ^*data from raw suppliers

5-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)C#N)N

Technology Process of 5-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

There total 8 articles about 5-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: 90.0%

cyclopentyl hydrazine dihydrochloride (645372-27-6) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (30929-67-0)

Guidance literature:

cyclopentyl hydrazine dihydrochloride; With triethylamine; In ethanol; at 0 ℃; for 0.5h;

Ethoxymethylenemalononitrile; In ethanol; for 2h; Reflux;

DOI:10.1021/acschemneuro.8b00376

Reference yield: 85.0%

cyclopentylhydrazine hydrochloride (24214-72-0,645372-27-6) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (30929-67-0)

Guidance literature:

cyclopentylhydrazine hydrochloride; With triethylamine; In ethanol; at 0 ℃; for 2h;

Ethoxymethylenemalononitrile; In ethanol; at 20 ℃; for 6h; Reflux;

Reference yield: 85.0%

cyclopentyl hydrazine dihydrochloride (645372-27-6) + 2-(methoxymethylene)malononitrile (672-81-1) → 5-amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile (30929-67-0)

Guidance literature:

cyclopentyl hydrazine dihydrochloride; With sodium ethanolate; In ethanol; at 0 ℃; for 2.75h;

2-(methoxymethylene)malononitrile; In ethanol; at 0 ℃; for 3.5h; Reflux;

DOI:10.1021/jm3009635

upstream raw materials:

Cyclopentyl bromide

3-Amino-4-cyanopyrazole

Ethoxymethylenemalononitrile

2-(methoxymethylene)malononitrile

Downstream raw materials:

5-amino-1-cyclopentyl-1H-pyrazole-4-carboxamide

1-cyclopentyl-6-[(1S)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

1-cyclopentyl-6-[1-(3-phenylpyrrolidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one