4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-7354 |
| Compound Name: | 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 310.69 |
| Molecular Formula: | C12 H11 Cl N4 O4 |
| Smiles: | COc1ccccc1CNC(c1c(c(n[nH]1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.135 |
| logD: | 1.8899 |
| logSw: | -3.2522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.129 |
| InChI Key: | QTEHBCKRJVZBLZ-UHFFFAOYSA-N |