methyl 4-{[(1-methyl-3-nitro-1H-pyrazole-5-carbonyl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(1-methyl-3-nitro-1H-pyrazole-5-carbonyl)amino]methyl}benzoate
methyl 4-{[(1-methyl-3-nitro-1H-pyrazole-5-carbonyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | 8018-4793 |
| Compound Name: | methyl 4-{[(1-methyl-3-nitro-1H-pyrazole-5-carbonyl)amino]methyl}benzoate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | Cn1c(cc(n1)[N+]([O-])=O)C(NCc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1738 |
| logD: | 1.1733 |
| logSw: | -2.2115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.187 |
| InChI Key: | BNLBSXNUTWNPNQ-UHFFFAOYSA-N |