propan-2-yl 1-ethyl-4-({1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-4-({1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-1H-pyrazole-3-carboxylate
propan-2-yl 1-ethyl-4-({1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-7352 |
| Compound Name: | propan-2-yl 1-ethyl-4-({1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C20 H22 N6 O6 |
| Smiles: | CCn1cc(c(C(=O)OC(C)C)n1)NC(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1242 |
| logD: | 0.4016 |
| logSw: | -2.6246 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.644 |
| InChI Key: | RXWDFUHHZBCDJN-UHFFFAOYSA-N |