TL;DR: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one (CAS 1005603-76-8) is a chemical compound with molecular formula C14H14ClF3N4O and molecular weight 346.0808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one
Also Known As: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one, 2-[4-CHLORO-5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-(4-METHYL-1H-PYRAZOL-1-YL)-1-PROPANONE, 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)propan-1-one
| Molecular Formula | C14H14ClF3N4O |
| Molecular Weight | 346.0808 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0808 Da |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
| SMILES | CC1=CN(N=C1)C(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Cl)C3CC3 |
| InChIKey | BGKXQXLJPQVVAG-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one has 0 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 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one is 1005603-76-8.
The molecular formula of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one is C14H14ClF3N4O.
The molecular weight of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpyrazol-1-yl)propan-1-one is 346.0808 g/mol.
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