YXF
Summary
| Name: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline |
| Formula: | C12 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 201.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 4-(3-ethyl-5-methyl-pyrazol-1-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1ccc(cc1)n1nc(cc1C)CC |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3/c1-3-11-8-9(2)15(14-11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 |
| InChIKey | InChI | 1.06 | IFKTZSUEBRONFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(C)n(n1)c2ccc(N)cc2 |
| SMILES | CACTVS | 3.385 | CCc1cc(C)n(n1)c2ccc(N)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(n(n1)c2ccc(cc2)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(n(n1)c2ccc(cc2)N)C |
