3DI
Summary
| Name: | 3-(1~{H}-pyrazol-5-yl)aniline |
| Synonyms: | 3-(1H-pyrazol-5yl)aniline |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-pyrazol-5-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12) |
| InChIKey | InChI | 1.03 | SXPNWQIDNWGAEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2[nH]ncc2 |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2[nH]ncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2ccn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2ccn[nH]2 |
