TL;DR: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone (CAS 1005665-44-0) is a chemical compound with molecular formula C9H8F3IN4O2 and molecular weight 387.96442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone
Also Known As: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-iodo-1H-pyrazol-3-yl)methanone, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-2H-pyrazol-3-yl)methanone, 1-[(4-iodo-1H-pyrazol-3-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C9H8F3IN4O2 |
| Molecular Weight | 387.96442 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.96442 Da |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C=NN2)I |
| InChIKey | QYOZXTYGZPLIST-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone. Following Lipinski's Rule of Five, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone has 2 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 [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone is 1005665-44-0.
The molecular formula of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone is C9H8F3IN4O2.
The molecular weight of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodo-1H-pyrazol-5-yl)methanone is 387.96442 g/mol.
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