TL;DR: 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide (CAS 1004193-88-7) is a chemical compound with molecular formula C12H11F3N4O2 and molecular weight 300.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbohydrazide
Also Known As: 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide, 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbohydrazide, 1-((3-(Trifluoromethyl)phenoxy)methyl)-1H-pyrazole-3-carbohydrazide, 1-([3-(Trifluoromethyl)phenoxy]methyl)-1h-pyrazole-3-carbohydrazide, 1-{[3-(trifluoromethyl)phenoxy]methyl}pyrazole-3-carbohydrazide
| Molecular Formula | C12H11F3N4O2 |
| Molecular Weight | 300.0834 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0834 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | C1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NN)C(F)(F)F |
| InChIKey | XCYKYVJCXNKDBE-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide. Following Lipinski's Rule of Five, 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide 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 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide is 1004193-88-7.
The molecular formula of 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide is C12H11F3N4O2.
The molecular weight of 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide is 300.0834 g/mol.
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