2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,5-dinitrobenzoic acid
2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8006-8006 |
| Compound Name: | 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,5-dinitrobenzoic acid |
| Molecular Weight: | 413.34 |
| Molecular Formula: | C18 H15 N5 O7 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4327 |
| logD: | -4.8145 |
| logSw: | -2.2512 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.007 |
| InChI Key: | RFUDIRJPDPUKHX-UHFFFAOYSA-N |