N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}adamantane-1-carboxamide
N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y500-7709 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}adamantane-1-carboxamide |
| Molecular Weight: | 397.95 |
| Molecular Formula: | C23 H28 Cl N3 O |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2[Cl])n1)NC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8531 |
| logD: | 4.8523 |
| logSw: | -4.7729 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.249 |
| InChI Key: | MWCZEDVLDAAFSQ-UHFFFAOYSA-N |