{3-Methyl-5-(5-methylisoxazol-3-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(morpholino)methanone

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Systematic / IUPAC Name: {3-Methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(4-morpholinyl)methanone

ID: Reference3823

Other Names: Methanone, [3-methyl-5-(5-methyl-3-isoxazolyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-4-morpholinyl-

Formula: C20H19F3N4O3

Spectral Data

{3-Methyl-5-(5-methylisoxazol-3-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(morpholino)methanone 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 9:02:39 AM
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Identificators

InChI InChI=1S/C20H19F3N4O3/c1-12-10-16(25-30-12)18-17(19(28)26-6-8-29-9-7-26)13(2)24-27(18)15-5-3-4-14(11-15)20(21,22)23/h3-5,10-11H,6-9H2,1-2H3
InChI Key HCRQQHRFRAQNDE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NO1)C2=C(C(=NN2C3=CC=CC(=C3)C(F)(F)F)C)C(=O)N4CCOCC4
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Other Names Methanone, [3-methyl-5-(5-methyl-3-isoxazolyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-4-morpholinyl-

In Other Databases

PubChem 2745725
ChemSpider 2027205
ChEMBL CHEMBL3188041