5-methyl-2-(1H-tetrazol-5-yl)-4-[(thiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(1H-tetrazol-5-yl)-4-[(thiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(1H-tetrazol-5-yl)-4-[(thiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7606 |
| Compound Name: | 5-methyl-2-(1H-tetrazol-5-yl)-4-[(thiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 260.27 |
| Molecular Formula: | C10 H8 N6 O S |
| Smiles: | CC1/C(=C/c2cccs2)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8107 |
| logD: | -0.6321 |
| logSw: | -2.0392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.916 |
| InChI Key: | DDIBSJKCPDULPT-UHFFFAOYSA-N |