3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | R052-1967 |
| Compound Name: | 3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C20 H22 N2 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1c(cn(c2ccccc2)n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0751 |
| logD: | 1.0016 |
| logSw: | -4.6798 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.313 |
| InChI Key: | HJDASZASOCACNB-UHFFFAOYSA-N |