| SpectraBase Spectrum ID |
ADJTnunMGGB |
| Name |
5-[p-(4-Methyl-1-piperazinyl)phenyl]-alpha,alpha,alpha-trifluoropyrazole-1-carboxy-m-toluidide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.177644836 u |
| Formula |
C22H22F3N5O |
| InChI |
InChI=1S/C22H22F3N5O/c1-28-11-13-29(14-12-28)19-7-5-16(6-8-19)20-9-10-26-30(20)21(31)27-18-4-2-3-17(15-18)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,27,31) |
| InChIKey |
YYJYVZGLQYRJOT-UHFFFAOYSA-N |
| Molecular Weight |
429.447 g/mol |
| SMILES |
CN1CCN(C2=CC=C(C=3N(C(=O)NC4=CC=CC(=C4)C(F)(F)F)N=CC3)C=C2)CC1 |
![5-[p-(4-Methyl-1-piperazinyl)phenyl]-alpha,alpha,alpha-trifluoropyrazole-1-carboxy-m-toluidide](/api/spectrum/ADJTnunMGGB/structure.png?h=300&w=458 "5-[p-(4-Methyl-1-piperazinyl)phenyl]-alpha,alpha,alpha-trifluoropyrazole-1-carboxy-m-toluidide")
