N5B
Summary
| Name: | N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE |
| Formula: | C13 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(3-cyclopropyl-1H-pyrazol-5-yl)benzamide |
| OpenEye OEToolkits | 1.5.0 | N-(5-cyclopropyl-2H-pyrazol-3-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(nn1)C2CC2)c3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3 |
| SMILES | CACTVS | 3.341 | O=C(Nc1[nH]nc(c1)C2CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | LUCORKWTQSQFFU-UHFFFAOYSA-N |
