TJM
Summary
| Name: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE |
| Formula: | C10 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 221.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)c2nnc(c1cc(sc1C)C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13) |
| InChIKey | InChI | 1.03 | KLVHCUPVBQYXJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(C)c(c1)c2[nH]nc(c2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1sc(C)c(c1)c2[nH]nc(c2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N |
