3-{[1-(adamantan-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[1-(adamantan-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[1-(adamantan-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6140 |
| Compound Name: | 3-{[1-(adamantan-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C19 H27 N3 O3 |
| Smiles: | CCC(C12CC3CC(CC(C3)C2)C1)NC(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9578 |
| logD: | -0.8179 |
| logSw: | -3.2067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.079 |
| InChI Key: | DMBRQJNAJBCXKV-GNIFAOBRSA-N |