KTJ
Summary
| Name: | 4-(3-amino-1H-pyrazol-4-yl)phenol |
| Formula: | C9 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-amino-1H-pyrazol-4-yl)phenol |
| OpenEye OEToolkits | 1.7.6 | 4-(3-azanyl-1H-pyrazol-4-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(N)c(c1ccc(O)cc1)cn2 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12) |
| InChIKey | InChI | 1.03 | WRERTDQKTDJJIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1n[nH]cc1c2ccc(O)cc2 |
| SMILES | CACTVS | 3.370 | Nc1n[nH]cc1c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c[nH]nc2N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c[nH]nc2N)O |
