methyl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
methyl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | G532-0074 |
| Compound Name: | methyl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | Cc1c(CNC(Nc2cccc(c2)C(=O)OC)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9059 |
| logD: | 1.9059 |
| logSw: | -2.5679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.877 |
| InChI Key: | KQEAUJFLTRNRGG-UHFFFAOYSA-N |