2-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
2-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
2-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | Y507-0230 |
| Compound Name: | 2-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C13 H15 N3 O2 |
| Smiles: | CCn1cc(CNc2ccccc2C(O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.2593 |
| logD: | -0.7003 |
| logSw: | -2.6119 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.685 |
| InChI Key: | JKOCJZOJIWGILJ-UHFFFAOYSA-N |