N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(4-nitrophenyl)urea
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(4-nitrophenyl)urea
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(4-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y205-6997 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(4-nitrophenyl)urea |
| Molecular Weight: | 379.42 |
| Molecular Formula: | C20 H21 N5 O3 |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9833 |
| logD: | 3.9822 |
| logSw: | -4.0876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.809 |
| InChI Key: | FHYKXIPHXMWCRX-UHFFFAOYSA-N |