5-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-[[(1S,4S)-4-[3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-5-oxopentanoic acid

ID: Reference9248

Other Names: Pentanoic acid, 5-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-5-oxo-;
NAT16-368437

Formula: C22H24F3N3O3

Spectral Data

5-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-5-oxopentanoic acid 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3112
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 1:39:43 PM
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Identificators

InChI InChI=1S/C22H24F3N3O3/c1-13-21(15-6-9-17(12-15)26-19(29)4-3-5-20(30)31)14(2)28(27-13)18-10-7-16(8-11-18)22(23,24)25/h6-11,15,17H,3-5,12H2,1-2H3,(H,26,29)(H,30,31)/t15-,17-/m1/s1
InChI Key YWAANJNCLUQGBY-NVXWUHKLSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)CCCC(=O)O
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Other Names Pentanoic acid, 5-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-5-oxo-;
NAT16-368437

In Other Databases

PubChem 26743424
ChemSpider 21385803