MJR
Summary
| Name: | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide |
| Formula: | C12 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 249.696 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(3-methyl-1~{H}-pyrazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | InChI | 1.06 | YSMRCXUJRFLNNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]cc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1n[nH]cc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c[nH]n1)NC(=O)Cc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c[nH]n1)NC(=O)Cc2cccc(c2)Cl |
