Q7E
Summary
| Name: | (2R)-4-(1H-pyrazol-1-yl)butan-2-ol |
| Formula: | C7 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 140.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-4-(1H-pyrazol-1-yl)butan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-pyrazol-1-ylbutan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C)CCn1cccn1 |
| InChI | InChI | 1.03 | InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3 |
| InChIKey | InChI | 1.03 | JKIATZCBNIISLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CCn1cccn1 |
| SMILES | CACTVS | 3.385 | C[CH](O)CCn1cccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCn1cccn1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCn1cccn1)O |
