928
Summary
| Name: | 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile |
| Formula: | C10 H7 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 218.642 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc(n1ncc(C#N)c1N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1n(ncc1C#N)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | Nc1n(ncc1C#N)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1n2c(c(cn2)C#N)N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1n2c(c(cn2)C#N)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| InChIKey | InChI | 1.03 | WIWSALMJHPGFDY-UHFFFAOYSA-N |
