TL;DR: N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide (CAS 1005569-51-6) is a chemical compound with molecular formula C13H13F2N3O and molecular weight 265.10266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1-ethylpyrazol-3-yl)methyl]-2,6-difluorobenzamide
Also Known As: N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide, N-[(1-ethylpyrazol-3-yl)methyl]-2,6-difluorobenzamide, N-[(1-ethylpyrazol-3-yl)methyl]-2,6-difluoro-benzamide
| Molecular Formula | C13H13F2N3O |
| Molecular Weight | 265.10266 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.10266 Da |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
| SMILES | CCN1C=CC(=N1)CNC(=O)C2=C(C=CC=C2F)F |
| InChIKey | VXPDBGXLOGRPFN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide. With a topological polar surface area (TPSA) of 46.9 Ų, N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide has 1 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 N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide is 1005569-51-6.
The molecular formula of N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide is C13H13F2N3O.
The molecular weight of N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,6-difluorobenzamide is 265.10266 g/mol.
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