JKV
Summary
| Name: | 3-(4-chlorophenyl)-1H-pyrazol-5-amine |
| Formula: | C9 H8 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 193.633 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-chlorophenyl)-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 2.0.6 | 3-(4-chlorophenyl)-1~{H}-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Cl)ccc(cc1)c2cc(N)nn2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13) |
| InChIKey | InChI | 1.03 | XQPBZIITFQHIDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc([nH]n2)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc([nH]n2)N)Cl |
