![Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-(4-methylphenyl)-7-(trifluoromethyl)-, (octahydro-2H-quinolizin-1-yl)methyl ester](/api/spectrum/Ipc1RX0NmRQ/structure.png?h=300&w=458 "Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-(4-methylphenyl)-7-(trifluoromethyl)-, (octahydro-2H-quinolizin-1-yl)methyl ester")
| SpectraBase Compound ID | JU7ebpsR307 |
|---|---|
| InChI | InChI=1S/C25H27F3N4O2/c1-16-7-9-17(10-8-16)20-13-22(25(26,27)28)32-23(30-20)19(14-29-32)24(33)34-15-18-5-4-12-31-11-3-2-6-21(18)31/h7-10,13-14,18,21H,2-6,11-12,15H2,1H3 |
| InChIKey | CEBFMSUINKFTEF-UHFFFAOYSA-N |
| Mol Weight | 472.51 g/mol |
| Molecular Formula | C25H27F3N4O2 |
| Exact Mass | 472.208611 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ipc1RX0NmRQ |
|---|---|
| Name | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-(4-methylphenyl)-7-(trifluoromethyl)-, (octahydro-2H-quinolizin-1-yl)methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H27F3N4O2 |
| InChI | InChI=1S/C25H27F3N4O2/c1-16-7-9-17(10-8-16)20-13-22(25(26,27)28)32-23(30-20)19(14-29-32)24(33)34-15-18-5-4-12-31-11-3-2-6-21(18)31/h7-10,13-14,18,21H,2-6,11-12,15H2,1H3 |
| InChIKey | CEBFMSUINKFTEF-UHFFFAOYSA-N |
| Molecular Weight | 472.512 g/mol |
| SMILES | c12[n](C(C(F)(F)F)=CC(=N2)c2ccc(cc2)C)ncc1C(OCC1C2N(CCCC2)CCC1)=O |
| SPLASH | splash10-0udi-8900000000-a39c282025fbe45fdeb0 |
| Source of Spectrum | IY-1-4698-0 |
| Synonyms | 5-(4-Methylphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Wiley ID | 1654963 |