[3-(3,5-dimethyl-1H-pyrazol-4-yl)adamantan-1-yl]acetic acid
Chemical Structure Depiction of
[3-(3,5-dimethyl-1H-pyrazol-4-yl)adamantan-1-yl]acetic acid
[3-(3,5-dimethyl-1H-pyrazol-4-yl)adamantan-1-yl]acetic acid
Compound characteristics
| Compound ID: | Y507-0012 |
| Compound Name: | [3-(3,5-dimethyl-1H-pyrazol-4-yl)adamantan-1-yl]acetic acid |
| Molecular Weight: | 288.39 |
| Molecular Formula: | C17 H24 N2 O2 |
| Smiles: | Cc1c(c(C)[nH]n1)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3067 |
| logD: | 0.54 |
| logSw: | -3.3433 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.299 |
| InChI Key: | BXGTVFWQTAHJCR-UHFFFAOYSA-N |