1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Base Information

Chemical Name:1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CAS No.:949898-66-2
Molecular Formula:C₁₇H₁₉F₃N₄O₃S
Molecular Weight:416.424
Hs Code.:
European Community (EC) Number:684-969-0
ChEMBL ID:CHEMBL251343
DSSTox Substance ID:DTXSID50583090
Wikidata:Q82474608

Synonyms:949898-66-2;AS-136A;ML020;1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-methyl-N-(4-(piperidin-1-ylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;OJDLQNVQEAZKSL-UHFFFAOYSA-N;SCHEMBL693147;CHEMBL251343;DTXSID50583090;AS-136A, >=98% (HPLC);HY-134909;CS-0166681

Suppliers and Price of 1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:416.11299614
Heavy Atom Count:28
Complexity:654

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Technology Process of 1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

There total 3 articles about 1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-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: 96.0%

: 1236144-18-5
ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

: 6336-68-1
4-(piperidin-1-ylsulfonyl)aniline

: 949898-66-2
1-methyl-N-[4-( 1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Guidance literature:: With lithium hexamethyldisilazane; In dichloromethane; at 22 - 40 ℃; Flow reactor;
DOI:10.1002/anie.201704529

Reference yield:

: 129768-24-7
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride

: 6336-68-1
4-(piperidin-1-ylsulfonyl)aniline

: 949898-66-2
1-methyl-N-[4-( 1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Guidance literature:: With pyridine; In dichloromethane; for 2h;
DOI:10.1021/jm701239a

Reference yield:

: 129768-30-5,948551-04-0
5-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester

: 949898-66-2
1-methyl-N-[4-( 1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane; N,N-dimethyl-formamide / 0.17 h / 120 °C / Flow reactor

2: lithium hexamethyldisilazane / dichloromethane / 22 - 40 °C / Flow reactor

With 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium hexamethyldisilazane; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/anie.201704529