(3-nitrophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Chemical Structure Depiction of
(3-nitrophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
(3-nitrophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
Compound characteristics
| Compound ID: | 8011-8506 |
| Compound Name: | (3-nitrophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C14 H16 N4 O2 |
| Smiles: | CC1CC(C)(C)N(C(C#N)c2cccc(c2)[N+]([O-])=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0098 |
| logD: | 3.0094 |
| logSw: | -3.1627 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.035 |
| InChI Key: | FRVKOHQIMGMBGE-CYBMUJFWSA-N |