UWG
Summary
| Name: | (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol |
| Formula: | C10 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 180.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(1-cyclopentylpyrazol-4-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1(cc(C(C)O)cn1)C2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | TUZCKTQECDPISK-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1cnn(c1)C2CCCC2 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1cnn(c1)C2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cnn(c1)C2CCCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cnn(c1)C2CCCC2)O |
