3-({[4-(4-chloro-1H-pyrazol-1-yl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-({[4-(4-chloro-1H-pyrazol-1-yl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-({[4-(4-chloro-1H-pyrazol-1-yl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6307 |
| Compound Name: | 3-({[4-(4-chloro-1H-pyrazol-1-yl)phenyl]methyl}carbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 359.77 |
| Molecular Formula: | C16 H14 Cl N5 O3 |
| Smiles: | Cn1cc(C(O)=O)c(C(NCc2ccc(cc2)n2cc(cn2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3689 |
| logD: | -2.4067 |
| logSw: | -2.6249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.773 |
| InChI Key: | DBQDLQNYGVXVAS-UHFFFAOYSA-N |