TL;DR: 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- (CAS 108132-60-1) is a chemical compound with molecular formula C15H17ClN2O4 and molecular weight 324.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-, 4-Chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole, (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone, (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone, BRN 5982380
| Molecular Formula | C15H17ClN2O4 |
| Molecular Weight | 324.08768 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.08768 Da |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
| SMILES | CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)Cl |
| InChIKey | DESMUKMRRZCSDV-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-. Following Lipinski's Rule of Five, 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- has 0 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 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- is 108132-60-1.
The molecular formula of 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- is C15H17ClN2O4.
The molecular weight of 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)- is 324.08768 g/mol.
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