4-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Chemical Structure Depiction of
4-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
4-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y507-4729 |
| Compound Name: | 4-methyl-1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C12 H13 N3 O2 |
| Smiles: | Cc1ccc(Cn2cc(C)c(n2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5884 |
| logD: | 2.5884 |
| logSw: | -2.4821 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.835 |
| InChI Key: | VNHJCCRLDBNRGB-UHFFFAOYSA-N |