TL;DR: N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (CAS 1005627-05-3) is a chemical compound with molecular formula C21H16ClF2N5O3 and molecular weight 459.09097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
Also Known As: N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide, N-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-1-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
| Molecular Formula | C21H16ClF2N5O3 |
| Molecular Weight | 459.09097 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.09097 Da |
| Heavy Atoms | 32 |
| Complexity | 616.0 |
| SMILES | C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)F)F)Cl |
| InChIKey | MHIDUQIZHIGEPY-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]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-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is 1005627-05-3.
The molecular formula of N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is C21H16ClF2N5O3.
The molecular weight of N-[1-[(4-chlorophenoxy)methyl]pyrazol-4-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is 459.09097 g/mol.
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