1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile

Base Information

Chemical Name:1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile
CAS No.:180903-15-5
Molecular Formula:C16H17ClN4
Molecular Weight:300.791
Hs Code.:
DSSTox Substance ID:DTXSID801166578
Nikkaji Number:J745.828B
Mol file:180903-15-5.mol

Synonyms:5-amino-3-(4-chloro-phenyl)-1-cyclohexyl-1h-pyrazole-4-carbonitrile;DTXSID801166578;1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile;5-Amino-3-(4-chlorophenyl)-1-cyclohexyl-1H-pyrazole-4-carbonitrile;180903-15-5

Suppliers and Price of 1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:300.1141743
Heavy Atom Count:21
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)N2C(=C(C(=N2)C3=CC=C(C=C3)Cl)C#N)N

Technology Process of 1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-1H-pyrazole-4-carbonitrile

There total 3 articles about 1-Cyclohexyl-3-(4-chlorophenyl)-5-amino-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: 62.0%

: 5515-14-0
2-((4-chlorophenyl)(methoxy)methylene)malononitrile

: 24214-73-1,30929-57-8
cyclohexylhydrazine hydrochloride

: 180903-15-5
5-amino-3-(p-chlorophenyl)-4-cyano-1-cyclohexylpyrazole

Guidance literature:: With triethylamine; In ethanol; for 2h; Heating;
DOI:10.1039/P19960001545

Reference yield:

: 46290-15-7
p-chlorobenzoylmalononitrile

: 180903-15-5
5-amino-3-(p-chlorophenyl)-4-cyano-1-cyclohexylpyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / NaHCO₃ / dioxane / 2.5 h / 80 - 90 °C

2: 62 percent / Et₃N / ethanol / 2 h / Heating

With sodium hydrogencarbonate; triethylamine; In 1,4-dioxane; ethanol;
DOI:10.1039/P19960001545

Reference yield:

: 122-01-0
4-chloro-benzoyl chloride

: 180903-15-5
5-amino-3-(p-chlorophenyl)-4-cyano-1-cyclohexylpyrazole

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / NaH / tetrahydrofuran / 1.) 5-10 deg C, 2.) room temp.

2: 63 percent / NaHCO₃ / dioxane / 2.5 h / 80 - 90 °C

3: 62 percent / Et₃N / ethanol / 2 h / Heating

With sodium hydride; sodium hydrogencarbonate; triethylamine; In tetrahydrofuran; 1,4-dioxane; ethanol;
DOI:10.1039/P19960001545