3VR
Summary
| Name: | N-methyl-1-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine |
| 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-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine |
| OpenEye OEToolkits | 1.9.2 | N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cccn1Cc2ccc(cc2)CNC |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | BQLXMVISWVMAID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(Cn2cccn2)cc1 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(Cn2cccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCc1ccc(cc1)Cn2cccn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCc1ccc(cc1)Cn2cccn2 |
