VI7
Summary
| Name: | 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine |
| Formula: | C15 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 285.728 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 2.0.7 | 5-[4-(4-chloranylphenoxy)phenyl]-1~{H}-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc([NH]n1)c1ccc(Oc2ccc(Cl)cc2)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19) |
| InChIKey | InChI | 1.06 | VORZJDMLVXLYIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc(Oc3ccc(Cl)cc3)cc2 |
| SMILES | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccc(Oc3ccc(Cl)cc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(n[nH]2)N)Oc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(n[nH]2)N)Oc3ccc(cc3)Cl |
