XJL
Summary
| Name: | 4-(5-(4-aminophenyl)-1H-pyrazol-1-yl)benzoic acid |
| Synonyms: | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid |
| Formula: | C16 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 279.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13N3O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,17H2,(H,20,21) |
| InChIKey | InChI | 1.06 | NFTLNKLBZONZAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2ccnn2c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2ccnn2c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccnn2c3ccc(cc3)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccnn2c3ccc(cc3)C(=O)O)N |
