TL;DR: N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005593-37-2) is a chemical compound with molecular formula C17H10Cl2F2N4O4 and molecular weight 442.00473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
Also Known As: N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide, N-[3-(2,4-dichlorophenoxy)-5-nitro-phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide, N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-1-(difluoromethyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C17H10Cl2F2N4O4 |
| Molecular Weight | 442.00473 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.00473 Da |
| Heavy Atoms | 29 |
| Complexity | 600.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3C(F)F |
| InChIKey | BRBLQQOZTSRNQI-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is 1005593-37-2.
The molecular formula of N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is C17H10Cl2F2N4O4.
The molecular weight of N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is 442.00473 g/mol.
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