4-[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamido]-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamido]-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
4-[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamido]-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y503-1825 |
| Compound Name: | 4-[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamido]-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 435.83 |
| Molecular Formula: | C16 H18 Cl N9 O4 |
| Smiles: | Cn1cc(CNC(c2c(cnn2C)NC(CCn2cc(c(n2)[N+]([O-])=O)[Cl])=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | -0.9932 |
| logD: | -1.1534 |
| logSw: | -2.261 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.003 |
| InChI Key: | OZWDKXAQMYDOSV-UHFFFAOYSA-N |