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

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

ID: Reference9270

Other Names: Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-;
NAT16-368415

Formula: C21H25F3N4O

Spectral Data

1-[(1S,4S)-4-{3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]-3-isopropylurea 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 1630
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/14/2020 9:54:35 AM
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Identificators

InChI InChI=1S/C21H25F3N4O/c1-12(2)25-20(29)26-17-8-5-15(11-17)19-13(3)27-28(14(19)4)18-9-6-16(7-10-18)21(22,23)24/h5-10,12,15,17H,11H2,1-4H3,(H2,25,26,29)/t15-,17-/m1/s1
InChI Key HJBNFDZDXDFEMG-NVXWUHKLSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)NC(C)C
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Other Names Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-;
NAT16-368415

In Other Databases

PubChem 40777669
ChemSpider 21385796