TL;DR: (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CAS 1385860-95-6) 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-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: BIM-0000641.P001, (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-1-propenyl]phenyl methyl ether, (2E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.1212 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1212 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | CC1=CC(=NN1C(=O)/C=C/C2=CC=C(C=C2)OC)C |
| InChIKey | ZWBLUPPGUZFURK-RMKNXTFCSA-N |
The XLogP value of 3.0 indicates that (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has 0 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 (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is 1385860-95-6.
The molecular formula of (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is C15H16N2O2.
The molecular weight of (E)-1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is 256.1212 g/mol.
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