5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 0118-0159 |
| Compound Name: | 5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 219.2 |
| Molecular Formula: | C10 H9 N3 O3 |
| Smiles: | CC1CC(N(c2cccc(c2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3516 |
| logD: | 0.2617 |
| logSw: | -2.1225 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.321 |
| InChI Key: | BNILDNQGLCOHLV-UHFFFAOYSA-N |