1WC
Summary
| Name: | 4-(2-chlorophenyl)-5-methyl-1H-pyrazole |
| Formula: | C10 H9 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 192.645 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-chlorophenyl)-5-methyl-1H-pyrazole |
| OpenEye OEToolkits | 1.7.6 | 4-(2-chlorophenyl)-5-methyl-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1c2c(nnc2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | COMPGPWYKZNXNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]ncc1c2ccccc2Cl |
| SMILES | CACTVS | 3.370 | Cc1[nH]ncc1c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cn[nH]1)c2ccccc2Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cn[nH]1)c2ccccc2Cl |
