methyl 3-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}benzoate
methyl 3-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | M505-0731 |
| Compound Name: | methyl 3-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}benzoate |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C20 H21 N3 O2 |
| Smiles: | Cc1c(CNc2cccc(c2)C(=O)OC)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9122 |
| logD: | 3.9122 |
| logSw: | -4.1744 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.065 |
| InChI Key: | BUYFFTWGILUSPS-UHFFFAOYSA-N |