methyl 4-[(1-methyl-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(1-methyl-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
methyl 4-[(1-methyl-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 1647-3029 |
| Compound Name: | methyl 4-[(1-methyl-4-nitro-1H-pyrazole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | Cn1c(C(Nc2ccc(cc2)C(=O)OC)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5489 |
| logD: | 1.005 |
| logSw: | -2.1643 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.1 |
| InChI Key: | NXABTSZNHJFTMJ-UHFFFAOYSA-N |