TL;DR: 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide (CAS 1285541-76-5) is a chemical compound with molecular formula C23H29N5O and molecular weight 391.2372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-adamantyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide, 5-(1-adamantyl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-1H-pyrazole-3-carboxamide, N-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}(3-adamantanylpyrazol-5-yl)carb oxamide, (E)-3-((3r,5r,7r)-adamantan-1-yl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide, 5-(1-adamantyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C23H29N5O |
| Molecular Weight | 391.2372 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.2372 Da |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | OKJQAQBILMEPIW-ZVHZXABRSA-N |
The XLogP value of 4.5 indicates that 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 1285541-76-5.
The molecular formula of 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is C23H29N5O.
The molecular weight of 3-(1-adamantyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 391.2372 g/mol.
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