3-({1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-({1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-({1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-5914 |
| Compound Name: | 3-({1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 422.27 |
| Molecular Formula: | C18 H17 Cl2 N5 O3 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])[Cl])n1)NC(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.011 |
| logD: | -2.1778 |
| logSw: | -2.9526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.979 |
| InChI Key: | JLKVQCNRVCGHAI-UHFFFAOYSA-N |