TL;DR: N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CAS 1005590-51-1) is a chemical compound with molecular formula C18H23ClF3N3O and molecular weight 389.14816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
Also Known As: N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide, 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propanamide, N~1~-(1-ADAMANTYL)-3-[4-CHLORO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]PROPANAMIDE
| Molecular Formula | C18H23ClF3N3O |
| Molecular Weight | 389.14816 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.14816 Da |
| Heavy Atoms | 26 |
| Complexity | 529.0 |
| SMILES | CC1=C(C(=NN1CCC(=O)NC23CC4CC(C2)CC(C4)C3)C(F)(F)F)Cl |
| InChIKey | XFQOACVZIJFDIT-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is 1005590-51-1.
The molecular formula of N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is C18H23ClF3N3O.
The molecular weight of N-(1-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is 389.14816 g/mol.
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