3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline--hydrogen chloride (1/1)
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y503-2471 |
| Compound Name: | 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline--hydrogen chloride (1/1) |
| Molecular Weight: | 316.63 |
| Molecular Formula: | C12 H14 Br N3 |
| Salt: | HCl |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)N)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.7423 |
| logD: | 1.7422 |
| logSw: | -1.3868 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.326 |
| InChI Key: | YBORHERLOIPMJM-UHFFFAOYSA-N |