(3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-4-nitrophenyl)methanone
Chemical Structure Depiction of
(3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-4-nitrophenyl)methanone
(3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 8007-0569 |
| Compound Name: | (3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-4-nitrophenyl)methanone |
| Molecular Weight: | 259.26 |
| Molecular Formula: | C13 H13 N3 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(n1c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9327 |
| logD: | 1.9327 |
| logSw: | -2.3044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.386 |
| InChI Key: | LSUNAXSNBXUHQX-UHFFFAOYSA-N |