A1CYC
Summary
| Name: | 1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| Formula: | C11 H14 F3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 277.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(3~{S})-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1COCCN1C(=O)Cn1ccc(n1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C11H14F3N3O2/c1-8-7-19-5-4-17(8)10(18)6-16-3-2-9(15-16)11(12,13)14/h2-3,8H,4-7H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | IHWVDPUKPLKKMT-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F |
