5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid
5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C795-0416 |
| Compound Name: | 5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C23 H22 N4 O2 |
| Smiles: | Cc1ccc(CNCc2cccn2c2c(cnn2c2ccccc2)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4364 |
| logD: | -0.4453 |
| logSw: | -4.103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.813 |
| InChI Key: | MRSJFZOOMYMHDT-UHFFFAOYSA-N |