TL;DR: 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole (CAS 1005672-42-3) is a chemical compound with molecular formula C11H8Cl2N6 and molecular weight 294.01874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]tetrazole
Also Known As: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]tetrazole, 1-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-1H-tetrazole, 1-[1-(2,4-DICHLOROBENZYL)-1H-PYRAZOL-4-YL]-1H-1,2,3,4-TETRAAZOLE
| Molecular Formula | C11H8Cl2N6 |
| Molecular Weight | 294.01874 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.01874 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=N2)N3C=NN=N3 |
| InChIKey | SOVUCIZIPQVSKL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole. Following Lipinski's Rule of Five, 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole 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 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole is 1005672-42-3.
The molecular formula of 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole is C11H8Cl2N6.
The molecular weight of 1-[1-[(2,4-Dichlorophenyl)methyl]pyrazol-4-yl]tetrazole is 294.01874 g/mol.
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