1TM
Summary
| Name: | 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol |
| 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 | 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol |
| OpenEye OEToolkits | 1.7.6 | 4-[3-azanyl-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O2/c16-15-13(9-1-5-11(19)6-2-9)14(17-18-15)10-3-7-12(20)8-4-10/h1-8,19-20H,(H3,16,17,18) |
| InChIKey | InChI | 1.03 | SDULBSMUWSNMKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1n[nH]c(c2ccc(O)cc2)c1c3ccc(O)cc3 |
| SMILES | CACTVS | 3.370 | Nc1n[nH]c(c2ccc(O)cc2)c1c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O |
