1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y503-3188 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C11 H11 N3 O2 |
| Smiles: | Cc1ccc(Cn2ccc(n2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0016 |
| logD: | 2.0016 |
| logSw: | -2.1643 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.472 |
| InChI Key: | XBTSHQYPEYHCPX-UHFFFAOYSA-N |