L02
Summary
| Name: | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE |
| Formula: | C14 H16 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 261.75 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine |
| OpenEye OEToolkits | 1.5.0 | 4-[5-(4-chlorophenyl)-2H-pyrazol-3-yl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)c2nnc(c2)C3CCNCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3 |
| SMILES | CACTVS | 3.341 | Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | GELALLNTKKLQLM-UHFFFAOYSA-N |
