K31
Summary
| Name: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline |
| Formula: | C11 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 187.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline |
| OpenEye OEToolkits | 2.0.6 | 2-(3,5-dimethyl-1~{H}-pyrazol-4-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2nc(c(c1ccccc1N)c2C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | JYOXGDPYEUEAFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2ccccc2N |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2ccccc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)c2ccccc2N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)c2ccccc2N |
