6SN
Summary
| Name: | 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine |
| Formula: | C9 H7 Cl2 N3 |
| Formal charge: | 0 |
| Formula weight: | 228.078 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14) |
| InChIKey | InChI | 1.03 | YKEDJVVQHWJYBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl |
