TL;DR: 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol (CAS 163452-60-6) is a chemical compound with molecular formula C13H13ClN4O and molecular weight 276.0778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(5-chloro-1-methylimidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Also Known As: (6E)-6-[5-(5-chloro-1-methylimidazol-2-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one, 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, 6-[5-(5-chloro-1-methylimidazol-2-yl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C13H13ClN4O |
| Molecular Weight | 276.0778 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0778 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | CN1C(=CN=C1C2CC(=NN2)C3=CC=CC=C3O)Cl |
| InChIKey | MCCSMFRLGURJQH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol. Following Lipinski's Rule of Five, 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol 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 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol is 163452-60-6.
The molecular formula of 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol is C13H13ClN4O.
The molecular weight of 2-(5-(5-chloro-1-methyl-1H-imidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol is 276.0778 g/mol.
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