A1AM3
Summary
| Name: | N-benzyl-1-methyl-1H-pyrazol-3-amine |
| 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-benzyl-1-methyl-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-~{N}-(phenylmethyl)pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1ccc(NCc2ccccc2)n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.06 | SNURKZHBZPONJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(NCc2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(NCc2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NCc2ccccc2 |
