N-{5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}-N'-[3-(trifluoromethyl)phenyl]urea

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Systematic / IUPAC Name: 1-{5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference5623

Other Names: 1-{5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl}-3-[3-(trifluoromethyl)phenyl]urea ;
Urea, N-{5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}-N'-[3-(trifluoromethyl)phenyl]-

Formula: C17H12F6N4OS

Spectral Data

N-{5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}-N'-[3-(trifluoromethyl)phenyl]urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/14/2016 1:27:58 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28)
InChI Key HGMSIFPMRNSKFF-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
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Other Names 1-{5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl}-3-[3-(trifluoromethyl)phenyl]urea ;
Urea, N-{5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl}-N'-[3-(trifluoromethyl)phenyl]-

In Other Databases

PubChem 2820493
ChEMBL CHEMBL2402102
ChemSpider 2098722