69T
Summary
| Name: | 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol |
| Formula: | C15 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 267.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol |
| OpenEye OEToolkits | 2.0.4 | 4-[5-[(4-hydroxyphenyl)amino]-1~{H}-pyrazol-3-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | AWPPGEGXTUMWMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Nc2[nH]nc(c2)c3ccc(O)cc3)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(Nc2[nH]nc(c2)c3ccc(O)cc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O |
