A1ENB
Summary
| Name: | 4-(pyrazol-1-ylmethyl)aniline |
| Formula: | C10 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 173.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(pyrazol-1-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2 |
| InChIKey | InChI | 1.06 | ISRYTHBRUSOVAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Cn2cccn2)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Cn2cccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)Cc2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)Cc2ccc(cc2)N |
