TL;DR: (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 1005562-81-1) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one, F3412-0100, (E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one, 1-(4-Hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.1212 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1212 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | CC1=C(C(=NN1C)C)/C=C/C(=O)C2=CC=C(C=C2)O |
| InChIKey | RMXLVBGAJLITFE-CMDGGOBGSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 55.1 Ų, (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 1005562-81-1.
The molecular formula of (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is C15H16N2O2.
The molecular weight of (2E)-1-(4-hydroxyphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 256.1212 g/mol.
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