A1CPQ
Summary
| Name: | 5-fluoro-N-[(1H-pyrazol-3-yl)methyl]thiophene-2-carboxamide |
| Formula: | C9 H8 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 225.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-fluoro-N-[(1H-pyrazol-3-yl)methyl]thiophene-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-fluoranyl-~{N}-(1~{H}-pyrazol-3-ylmethyl)thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1cc[NH]n1)c1ccc(F)s1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8FN3OS/c10-8-2-1-7(15-8)9(14)11-5-6-3-4-12-13-6/h1-4H,5H2,(H,11,14)(H,12,13) |
| InChIKey | InChI | 1.06 | CABWXGSCGJKXHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1sc(cc1)C(=O)NCc2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | Fc1sc(cc1)C(=O)NCc2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1C(=O)NCc2cc[nH]n2)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1C(=O)NCc2cc[nH]n2)F |
