A1AXL
Summary
| Name: | (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol |
| OpenEye OEToolkits | 2.0.7 | (5-methyl-1-phenyl-pyrazol-4-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(cnn1c1ccccc1)CO |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3 |
| InChIKey | InChI | 1.06 | JTNWKZVHKLAHTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(ncc1CO)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1n(ncc1CO)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1c2ccccc2)CO |
