X6W
Summary
| Name: | methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine |
| Formula: | C12 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 201.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)methanamine |
| OpenEye OEToolkits | 1.7.6 | N-methyl-1-(2-methyl-5-phenyl-pyrazol-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(c1ccccc1)cc(n2C)CNC |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-13-9-11-8-12(14-15(11)2)10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3 |
| InChIKey | InChI | 1.03 | QFUHILGXHQHXHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(nn1C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCc1cc(nn1C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1cc(nn1C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1cc(nn1C)c2ccccc2 |
