KP6
Summary
| Name: | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol |
| Formula: | C8 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 154.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol |
| OpenEye OEToolkits | 1.9.2 | 2-(1,3,5-trimethylpyrazol-4-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCc1c(nn(c1C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | QESMYIFDOLAREQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(CCO)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(CCO)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)CCO |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)CCO |
