methyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
methyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | G532-0158 |
| Compound Name: | methyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H22 N4 O3 |
| Smiles: | CCn1c(C)c(CNC(Nc2cccc(c2)C(=O)OC)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4446 |
| logD: | 2.4446 |
| logSw: | -2.8962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.315 |
| InChI Key: | JYVGVZUQEKYLKY-UHFFFAOYSA-N |