HX4
Summary
| Name: | 5-phenyl-1H-pyrazol-3-amine |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-phenyl-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 2.0.6 | 5-phenyl-1~{H}-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cccc(c1nnc(N)c1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12) |
| InChIKey | InChI | 1.03 | PWSZRRFDVPMZGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Nc1cc([nH]n1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc(n[nH]2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc(n[nH]2)N |
