1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea
12142
Reference
1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[3,5-Dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea
ID: Reference12142
Other Names: NAT16-352626
Formula: C26H30N4O
Spectral Data
1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea 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 | 2216 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 5:13:46 PM |
Identificators
| InChI | InChI=1S/C26H30N4O/c1-17(2)20-11-14-24(15-12-20)30-19(4)25(18(3)29-30)21-10-13-23(16-21)28-26(31)27-22-8-6-5-7-9-22/h5-15,17,21,23H,16H2,1-4H3,(H2,27,28,31)/t21-,23-/m1/s1 |
| InChI Key | FCDQXMONLNNSBI-FYYLOGMGSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(C)C)C)C3CC(C=C3)NC(=O)NC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT16-352626 |