TL;DR: 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine (CAS 1004194-66-4) is a chemical compound with molecular formula C10H8Cl3N3 and molecular weight 274.9784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
Also Known As: 4-chloro-1-(2,6-dichlorobenzyl)-1H-pyrazol-3-amine, 4-Chloro-1-[(2,6-dichlorophenyl)methyl]-1h-pyrazol-3-amine, 4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine, 1-[(2,6-dichlorophenyl)methyl]-4-chloropyrazole-3-ylamine, 4-Chloro-1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl amine
| Molecular Formula | C10H8Cl3N3 |
| Molecular Weight | 274.9784 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.9784 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)N)Cl)Cl |
| InChIKey | WZCQIGJJWMCICA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine is 1004194-66-4.
The molecular formula of 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine is C10H8Cl3N3.
The molecular weight of 4-chloro-1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-3-amine is 274.9784 g/mol.
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