A1DOX
Summary
| Name: | 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-1-(propan-2-yl)-1H-pyrazole |
| Formula: | C10 H13 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 224.69 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-1-(propan-2-yl)-1H-pyrazole |
| OpenEye OEToolkits | 3.1.0.0 | 3-[(4-chloranylpyrazol-1-yl)methyl]-1-propan-2-yl-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)n1ccc(Cn2cc(Cl)cn2)n1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13ClN4/c1-8(2)15-4-3-10(13-15)7-14-6-9(11)5-12-14/h3-6,8H,7H2,1-2H3 |
| InChIKey | InChI | 1.06 | GOESQCAJTOIEGU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ccc(Cn2cc(Cl)cn2)n1 |
| SMILES | CACTVS | 3.385 | CC(C)n1ccc(Cn2cc(Cl)cn2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)n1ccc(n1)Cn2cc(cn2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)n1ccc(n1)Cn2cc(cn2)Cl |
