VE5
Summary
| Name: | N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide |
| Synonyms: | 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide |
| Formula: | C16 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 298.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22) |
| InChIKey | InChI | 1.03 | HSYFSGUXNLQCQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3 |
