4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | Y507-5750 |
| Compound Name: | 4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 259.31 |
| Molecular Formula: | C14 H17 N3 O2 |
| Smiles: | CCn1c(C)c(CNc2ccc(cc2)C(O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.2026 |
| logD: | -0.1926 |
| logSw: | -2.4954 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.806 |
| InChI Key: | KOQJZYAAEKBRAZ-UHFFFAOYSA-N |