TL;DR: 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide (CAS 1005580-18-6) is a chemical compound with molecular formula C17H13ClFN3O2 and molecular weight 345.06802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
Also Known As: 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide, {1-[(4-chlorophenoxy)methyl]pyrazol-3-yl}-N-(2-fluorophenyl)carboxamide, 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide, 1-[(4-CHLOROPHENOXY)METHYL]-N~3~-(2-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C17H13ClFN3O2 |
| Molecular Weight | 345.06802 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.06802 Da |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Cl)F |
| InChIKey | OHKVNELSAHIORK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide 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 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is 1005580-18-6.
The molecular formula of 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is C17H13ClFN3O2.
The molecular weight of 1-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is 345.06802 g/mol.
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