5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Chemical Structure Depiction of
5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y207-1137 |
| Compound Name: | 5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C12 H13 N3 O2 |
| Smiles: | Cc1ccc(Cn2c(C)cc(n2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2423 |
| logD: | 2.2423 |
| logSw: | -2.3532 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.012 |
| InChI Key: | UUTHNVKYNNJEHI-UHFFFAOYSA-N |