1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-isopropylurea
12148
Reference
1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-isopropylurea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
ID: Reference12148
Other Names: NAT16-353081
Formula: C20H25N5O3
Spectral Data
1-{(1S,4S)-4-[3,5-Dimethyl-1-(2-nitrophenyl)-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 | 2313 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 5:24:28 PM |
Identificators
| InChI | InChI=1S/C20H25N5O3/c1-12(2)21-20(26)22-16-10-9-15(11-16)19-13(3)23-24(14(19)4)17-7-5-6-8-18(17)25(27)28/h5-10,12,15-16H,11H2,1-4H3,(H2,21,22,26)/t15-,16-/m1/s1 |
| InChI Key | JBPVIBACHAWAEW-HZPDHXFCSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=CC=C2[N+](=O)[O-])C)C3CC(C=C3)NC(=O)NC(C)C |
| CAS | |
| Splash | |
| Other Names | NAT16-353081 |