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

ID: Reference9280

Other Names: Pentanoic acid, 5-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]amino]-3,3-dimethyl-5-oxo-;
NAT16-368440

Formula: C24H28F3N3O3

Spectral Data

5-{[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]amino}-3,3-dimethyl-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 1
No. of Spectra 2910
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 1:58:40 PM
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Identificators

InChI InChI=1S/C24H28F3N3O3/c1-14-22(15(2)30(29-14)19-9-6-17(7-10-19)24(25,26)27)16-5-8-18(11-16)28-20(31)12-23(3,4)13-21(32)33/h5-10,16,18H,11-13H2,1-4H3,(H,28,31)(H,32,33)/t16-,18-/m1/s1
InChI Key HQQLCJXKRGBJBA-SJLPKXTDSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)CC(C)(C)CC(=O)O
CAS
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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]-3,3-dimethyl-5-oxo-;
NAT16-368440

In Other Databases

PubChem 40777677
ChemSpider 21385806