5-{[(3,5-dibromo-2-hydroxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(3,5-dibromo-2-hydroxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
5-{[(3,5-dibromo-2-hydroxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8017-5828 |
| Compound Name: | 5-{[(3,5-dibromo-2-hydroxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 372.02 |
| Molecular Formula: | C11 H8 Br2 N4 O |
| Smiles: | C(c1cc(cc(c1O)[Br])[Br])Nc1c(C#N)cn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.7156 |
| logD: | 2.7055 |
| logSw: | -3.0555 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.339 |
| InChI Key: | IOEJAOVITMJGGD-UHFFFAOYSA-N |