S3M
Summary
| Name: | (1-methyl-5-phenyl-pyrazol-3-yl)methanol |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1-methyl-5-phenyl-pyrazol-3-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3 |
| InChIKey | InChI | 1.03 | ZMDMCKKOZJKHKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(CO)cc1c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cn1nc(CO)cc1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(cc(n1)CO)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(cc(n1)CO)c2ccccc2 |
