A1BFW
Summary
| Name: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| Formula: | C10 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 209.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC1CCCO1)c1ccn(C)n1 |
| InChI | InChI | 1.06 | InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14) |
| InChIKey | InChI | 1.06 | WBAZBPMBDLSPCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)C(=O)NC[C@H]2CCCO2 |
| SMILES | CACTVS | 3.385 | Cn1ccc(n1)C(=O)NC[CH]2CCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1ccc(n1)C(=O)NC[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1ccc(n1)C(=O)NCC2CCCO2 |
