4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7395 |
| Compound Name: | 4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C14 H14 N6 O3 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OC)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8641 |
| logD: | -0.5788 |
| logSw: | -1.8986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.159 |
| InChI Key: | USRSKJVNNWRDGK-UHFFFAOYSA-N |