TL;DR: 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide (CAS 1017777-66-0) is a chemical compound with molecular formula C30H31Cl2N5O2 and molecular weight 563.1855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[butyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
Also Known As: 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide, 2-[butyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]acetamide
| Molecular Formula | C30H31Cl2N5O2 |
| Molecular Weight | 563.1855 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.1855 Da |
| Heavy Atoms | 39 |
| Complexity | 787.0 |
| SMILES | CCCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3)C(=O)NC4=C(C=CC=C4Cl)Cl |
| InChIKey | COLAJTXVQASDFZ-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide. Following Lipinski's Rule of Five, 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide is 1017777-66-0.
The molecular formula of 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide is C30H31Cl2N5O2.
The molecular weight of 2-[Butyl[[(2,6-dichlorophenyl)amino]carbonyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide is 563.1855 g/mol.
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