N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide

Base Information

Chemical Name:N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CAS No.:245747-08-4
Molecular Formula:C17H9F7N4O
Molecular Weight:418.27
Hs Code.:
European Community (EC) Number:808-615-3
Nikkaji Number:J1.381.518F
ChEMBL ID:CHEMBL101896
Mol file:245747-08-4.mol

Synonyms:PYR6;245747-08-4;N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide;CHEMBL101896;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide;SCHEMBL7325729;Pyr6, >=98% (HPLC);VJA74708;BDBM50450630;CS-3626;n-[4-[3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamide;NCGC00390662-01;NCGC00390662-03;CID 10598093;HY-12504;MS-27298;PD012839;F85098;N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide;N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamideN-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamide

Suppliers and Price of N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide

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
Packaging
price

DC Chemicals
Pyr6 >98%
1 g
$ 2200.00

DC Chemicals
Pyr6 >98%
250 mg
$ 1100.00

DC Chemicals
Pyr6 >98%
100 mg
$ 550.00

Crysdot
Pyr6 98+%
10mg
$ 122.00

ChemScene
Pyr6 99.34%
10mg
$ 108.00

ChemScene
Pyr6 99.34%
5mg
$ 66.00

Total 10 raw suppliers

Chemical Property of N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide

Chemical Property:

Melting Point:162-163 °C
Boiling Point:368.4±42.0 °C(Predicted)
PKA:9.85±0.70(Predicted)
PSA：59.81000
Density:1.52±0.1 g/cm3(Predicted)
LogP:4.76930
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:418.06645806
Heavy Atom Count:29
Complexity:577

Purity/Quality:

99%, ^*data from raw suppliers

Pyr6 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1NC(=O)C2=C(C=NC=C2)F)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F

Technology Process of N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide

There total 8 articles about N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide 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: 52.0%

: 393-53-3
3-fluoroisonicotinic acid

: 123066-64-8
4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl] aniline

: 245747-08-4
N-(4-(3,5-bis(trifluoromethyl)-1H-pyrazole-1-yl)phenyl)-3-fluoroisonicotinamide

Guidance literature:: With phosphorus trichloride; In acetonitrile; at 150 ℃; for 0.0833333h; Microwave irradiation;
DOI:10.1021/jo2009824

Reference yield:

: 123066-63-7
1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole

: 245747-08-4
N-(4-(3,5-bis(trifluoromethyl)-1H-pyrazole-1-yl)phenyl)-3-fluoroisonicotinamide

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethyl acetate

2: EDC; DMAP

With dmap; hydrogen; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In ethyl acetate; 1: Reduction / 2: Condensation;
DOI:10.1021/jm990615a

Reference yield:

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 245747-08-4
N-(4-(3,5-bis(trifluoromethyl)-1H-pyrazole-1-yl)phenyl)-3-fluoroisonicotinamide

Guidance literature:: Multi-step reaction with 3 steps

1: HCl / ethanol / Heating

2: H₂ / Pd/C / ethyl acetate

3: EDC; DMAP

With hydrogenchloride; dmap; hydrogen; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In ethanol; ethyl acetate; 1: cyclocondensation / 2: Reduction / 3: Condensation;
DOI:10.1021/jm990615a