1-{(1S,4S)-4-[1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-isopropylurea
11069
Reference
1-{(1S,4S)-4-[1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-isopropylurea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[1-(4-Fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
ID: Reference11069
Other Names: NAT16-353195
Formula: C20H25FN4O
Spectral Data
1-{(1S,4S)-4-[1-(4-Fluorophenyl)-3,5-dimethyl-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1114 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/26/2021 10:45:34 AM |
Identificators
| InChI | InChI=1S/C20H25FN4O/c1-12(2)22-20(26)23-17-8-5-15(11-17)19-13(3)24-25(14(19)4)18-9-6-16(21)7-10-18/h5-10,12,15,17H,11H2,1-4H3,(H2,22,23,26)/t15-,17-/m1/s1 |
| InChI Key | XRJQGNNJYPPBQT-NVXWUHKLSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C3CC(C=C3)NC(=O)NC(C)C |
| CAS | |
| Splash | |
| Other Names | NAT16-353195 |