TL;DR: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone (CAS 1005605-10-6) is a chemical compound with molecular formula C24H27ClN4O2 and molecular weight 438.18225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone
Also Known As: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone|1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl 4-[(4-chlorophenyl)methyl]piperazi nyl ketone|[4-(4-chlorobenzyl)piperazin-1-yl]{1-[(2,5-dimethylphenoxy)methyl]-1H-pyrazol-3-yl}methanone|[4-(4-CHLOROBENZYL)PIPERAZINO]{1-[(2,5-DIMETHYLPHENOXY)METHYL]-1H-PYRAZOL-3-YL}METHANONE|STK309759|ST068281
| Molecular Formula | C24H27ClN4O2 |
| Molecular Weight | 438.18225 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.18225 Da |
| Heavy Atoms | 31 |
| Complexity | 578.0 |
| SMILES | CC1=CC(=C(C=C1)C)OCN2C=CC(=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl |
| InChIKey | LKOYMHSIARRTLS-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone has 0 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 [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone is 1005605-10-6.
The molecular formula of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone is C24H27ClN4O2.
The molecular weight of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]methanone is 438.18225 g/mol.
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