TL;DR: (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CAS 1005691-07-5) is a chemical compound with molecular formula C23H25ClN4O and molecular weight 408.1717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
Also Known As: (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone, (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone, (4-chlorophenyl){4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone, (4-CHLOROPHENYL){4-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]PIPERAZINO}METHANONE
| Molecular Formula | C23H25ClN4O |
| Molecular Weight | 408.1717 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1717 Da |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | LFTHKTNGTBGWPB-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.4 Ų, (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is 1005691-07-5.
The molecular formula of (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is C23H25ClN4O.
The molecular weight of (4-chlorophenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is 408.1717 g/mol.
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