4-{[4-(diethylamino)phenyl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(diethylamino)phenyl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(diethylamino)phenyl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7401 |
| Compound Name: | 4-{[4-(diethylamino)phenyl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C16 H19 N7 O |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C)=NN(C2=O)c2nnn[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.076 |
| logD: | 0.6331 |
| logSw: | -2.662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.634 |
| InChI Key: | YIPHBIMDCRKNQH-UHFFFAOYSA-N |