VTD
Summary
| Name: | 3-(3-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 | 3-(3-chlorophenyl)-5-methyl-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 3-(3-chlorophenyl)-5-methyl-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(C)nn1)c2cc(ccc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | KOMMMAVILXYEJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(c1)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(c1)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n[nH]1)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n[nH]1)c2cccc(c2)Cl |
