W1Y
Summary
| Name: | N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine |
| Formula: | C11 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 187.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-(1-phenylpyrazol-4-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1n(cc(CNC)c1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3 |
| InChIKey | InChI | 1.03 | SZXULAAYIBSASF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cnn(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCc1cnn(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1cnn(c1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1cnn(c1)c2ccccc2 |
