Q2Q
Summary
| Name: | 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one |
| Formula: | C19 H12 F3 N3 O |
| Formal charge: | 0 |
| Formula weight: | 355.313 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | InChI | 1.06 | QLWOIKQIMHVRGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2c(nn3c2N=C(CC3=O)c4ccccc4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2c(nn3c2N=C(CC3=O)c4ccccc4)C(F)(F)F |
