A1BQR
Summary
| Name: | 1-methyl-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine |
| Formula: | C13 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 215.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-(2,4,6-trimethylphenyl)pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1ccc(Nc2c(C)cc(C)cc2C)n1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3/c1-9-7-10(2)13(11(3)8-9)14-12-5-6-16(4)15-12/h5-8H,1-4H3,(H,14,15) |
| InChIKey | InChI | 1.06 | BHEPYCGCQDUONZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(Nc2c(C)cc(C)cc2C)n1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(Nc2c(C)cc(C)cc2C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)C)Nc2ccn(n2)C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)C)Nc2ccn(n2)C)C |
