TL;DR: 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide (CAS 1006463-55-3) is a chemical compound with molecular formula C14H17FN4 and molecular weight 260.14374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoro-N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
Also Known As: 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide, 4-fluoro-N'-(1-isopropyl-1H-pyrazol-5-yl)-N-methylbenzenecarboximidamide, AB00742104-01, 4-fluoro-N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide, 4-Fluoro-N-methyl-N'-[1-(1-methylethyl)-1H-pyrazol-5-yl]benzenecarboximidamide
| Molecular Formula | C14H17FN4 |
| Molecular Weight | 260.14374 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.14374 Da |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
| SMILES | CC(C)N1C(=CC=N1)NC(=NC)C2=CC=C(C=C2)F |
| InChIKey | GIKJWWIQTLRWEN-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide. With a topological polar surface area (TPSA) of 42.2 Ų, 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide is 1006463-55-3.
The molecular formula of 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide is C14H17FN4.
The molecular weight of 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide is 260.14374 g/mol.
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