A1CU3
Summary
| Name: | N-(3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide |
| Formula: | C13 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 229.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(3-methyl-1~{H}-pyrazol-5-yl)-3-phenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(C)n[NH]1)CCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O/c1-10-9-12(16-15-10)14-13(17)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.06 | GFHPGCKEOBLEHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc([nH]n1)NC(=O)CCc2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1cc([nH]n1)NC(=O)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc([nH]n1)NC(=O)CCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc([nH]n1)NC(=O)CCc2ccccc2 |
