NX9
Summary
| Name: | 2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide |
| Formula: | C11 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 235.67 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(1~{H}-pyrazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1cccc(Cl)c1)Nc1c[NH]nc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)5-11(16)15-10-6-13-14-7-10/h1-4,6-7H,5H2,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.06 | SDKQWVALTYIIDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2c[nH]nc2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2c[nH]nc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2 |
