U2Z
Summary
| Name: | [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol |
| Formula: | C12 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 217.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {1-[2-(aminomethyl)phenyl]-5-methyl-1H-pyrazol-3-yl}methanol |
| OpenEye OEToolkits | 1.7.6 | [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(n1c2c(cccc2)CN)C)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O/c1-9-6-11(8-16)14-15(9)12-5-3-2-4-10(12)7-13/h2-6,16H,7-8,13H2,1H3 |
| InChIKey | InChI | 1.03 | JEGHUHKDKMLZCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CO)nn1c2ccccc2CN |
| SMILES | CACTVS | 3.385 | Cc1cc(CO)nn1c2ccccc2CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nn1c2ccccc2CN)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nn1c2ccccc2CN)CO |
