69W
Summary
| Name: | 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine |
| Formula: | C15 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 250.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 2.0.4 | 4-[3-(3-aminophenyl)phenyl]-1~{H}-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19) |
| InChIKey | InChI | 1.03 | XJQYSQDWCYFLKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N |
