methyl 3-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-4-methylbenzoate
methyl 3-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-4-methylbenzoate
Compound characteristics
| Compound ID: | Y509-0962 |
| Compound Name: | methyl 3-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-4-methylbenzoate |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C15 H16 N4 O5 |
| Smiles: | Cc1ccc(cc1NC(c1c(c(C)nn1C)[N+]([O-])=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7415 |
| logD: | 1.6558 |
| logSw: | -2.2725 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.454 |
| InChI Key: | QAOMUUWHUIRQFW-UHFFFAOYSA-N |