TL;DR: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one (CAS 1005612-40-7) is a chemical compound with molecular formula C18H17ClN4O2 and molecular weight 356.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
Also Known As: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one, (2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one, (E)-1-(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)-3-[4-METHOXY-3-(1H-PYRAZOL-1-YLMETHYL)PHENYL]-2-PROPEN-1-ONE, 1-(4-chloro-1-methyl-pyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
| Molecular Formula | C18H17ClN4O2 |
| Molecular Weight | 356.104 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.104 Da |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
| SMILES | CN1C=C(C(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=CC=N3)Cl |
| InChIKey | IIFFXIBQIHEOFT-GQCTYLIASA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one has 0 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 (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one is 1005612-40-7.
The molecular formula of (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one is C18H17ClN4O2.
The molecular weight of (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one is 356.104 g/mol.
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