8SS
Summary
| Name: | 4-(4-bromophenyl)-1H-pyrazol-3-amine |
| Formula: | C9 H8 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 238.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-bromophenyl)-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 2.0.6 | 4-(4-bromophenyl)-1~{H}-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(c1ccc(cc1)Br)c(N)n2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
| InChIKey | InChI | 1.03 | ABKUXQSVMWMABM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n[nH]cc1c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | Nc1n[nH]cc1c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2c[nH]nc2N)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2c[nH]nc2N)Br |
