(5-bromo-2-hydroxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Chemical Structure Depiction of
(5-bromo-2-hydroxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
(5-bromo-2-hydroxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Compound characteristics
| Compound ID: | 8018-1338 |
| Compound Name: | (5-bromo-2-hydroxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile |
| Molecular Weight: | 322.2 |
| Molecular Formula: | C14 H16 Br N3 O |
| Smiles: | CC1CC(C)(C)N(C(C#N)c2cc(ccc2O)[Br])N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6793 |
| logD: | 3.6783 |
| logSw: | -3.4781 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.201 |
| InChI Key: | PKQFACGXFCBGTQ-GFCCVEGCSA-N |