JO1
Summary
| Name: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-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 | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-~{N}-(thiophen-2-ylmethyl)pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1sccc1)NC(c2ccnn2C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14) |
| InChIKey | InChI | 1.03 | KZOMSPKSWBGZMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nccc1C(=O)NCc2sccc2 |
| SMILES | CACTVS | 3.385 | Cn1nccc1C(=O)NCc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(ccn1)C(=O)NCc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(ccn1)C(=O)NCc2cccs2 |
