TL;DR: Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- (CAS 138840-92-3) is a chemical compound with molecular formula C15H13FN2O and molecular weight 256.1012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
Also Known As: Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol, 2-(3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)phenol, 2-[5-(4-fluorophenyl)-3,4-dihydro-2H-pyrazol-3-yl]phenol, Phenol,2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]
| Molecular Formula | C15H13FN2O |
| Molecular Weight | 256.1012 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.1012 Da |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
| SMILES | C1C(NN=C1C2=CC=C(C=C2)F)C3=CC=CC=C3O |
| InChIKey | IDGMXKDATHDEBA-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- has 2 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 Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- is 138840-92-3.
The molecular formula of Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- is C15H13FN2O.
The molecular weight of Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- is 256.1012 g/mol.
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