3-{[4-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{[4-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid--hydrogen chloride (1/1)
3-{[4-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y507-5669 |
| Compound Name: | 3-{[4-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 321.68 |
| Molecular Formula: | C12 H10 F3 N3 O2 |
| Salt: | HCl |
| Smiles: | C(c1cccc(c1)C(O)=O)n1cc(c(C(F)(F)F)n1)N |
| Stereo: | ACHIRAL |
| logP: | 1.8412 |
| logD: | -1.5202 |
| logSw: | -1.881 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.795 |
| InChI Key: | IFJBIRQVTXAGAU-UHFFFAOYSA-N |