methyl 4-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
methyl 4-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y501-0106 |
| Compound Name: | methyl 4-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | COC(c1ccc(cc1)NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0153 |
| logD: | 2.9855 |
| logSw: | -3.6401 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.307 |
| InChI Key: | FJBZCUDASXYRKS-UHFFFAOYSA-N |