TL;DR: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS 1001518-95-1) is a chemical compound with molecular formula C10H10ClF3N2O2 and molecular weight 282.0383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
Also Known As: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid, 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic Acid, 3-(4-CHLORO-5-CYCLOPROPYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID, 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]propanoic acid, 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
| Molecular Formula | C10H10ClF3N2O2 |
| Molecular Weight | 282.0383 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0383 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | C1CC1C2=C(C(=NN2CCC(=O)O)C(F)(F)F)Cl |
| InChIKey | LKXHZSKSXGAYPW-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 1001518-95-1.
The molecular formula of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is C10H10ClF3N2O2.
The molecular weight of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 282.0383 g/mol.
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