TL;DR: (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate (CAS 1007543-36-3) is a chemical compound with molecular formula C25H20N2O3 and molecular weight 396.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
Also Known As: (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate, phenyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate, F1218-1566, phenyl (2Z)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoate
| Molecular Formula | C25H20N2O3 |
| Molecular Weight | 396.1474 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.1474 Da |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN(C=C2/C=C\C(=O)OC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | XXMCFEVTWGQSIO-VKAVYKQESA-N |
The XLogP value of 5.4 indicates that (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is 1007543-36-3.
The molecular formula of (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is C25H20N2O3.
The molecular weight of (Z)-phenyl 3-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is 396.1474 g/mol.
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