W6S
Summary
| Name: | 4-(1H-pyrazol-3-yl)piperidine |
| Formula: | C8 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 151.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-pyrazol-3-yl)piperidine |
| OpenEye OEToolkits | 2.0.7 | 4-(1~{H}-pyrazol-3-yl)piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(C1CCNCC1)nn2 |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | FCKYIGWJVZIPLK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC(CCN1)c2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | C1CC(CCN1)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]nc1C2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]nc1C2CCNCC2 |
