A1JE4
Summary
| Name: | (1~{S},4~{R})-4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)cyclopent-2-en-1-ol |
| Formula: | C10 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 178.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},4~{R})-4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)cyclopent-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O/c1-6-10(7(2)12-11-6)8-3-4-9(13)5-8/h3-4,8-9,13H,5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | GQAULXNKFCLCAG-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1[C@@H]2C[C@H](O)C=C2 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1[CH]2C[CH](O)C=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)C2CC(C=C2)O |
