TL;DR: (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005678-73-8) is a chemical compound with molecular formula C20H21ClN4O2 and molecular weight 384.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one, (2E)-3-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-3-{3-[(4-CHLORO-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}-1-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-2-PROPEN-1-ONE
| Molecular Formula | C20H21ClN4O2 |
| Molecular Weight | 384.1353 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.1353 Da |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
| SMILES | CCN1C=C(C(=N1)C)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=C(C=N3)Cl |
| InChIKey | JVMFKYZPQGWSHS-FNORWQNLSA-N |
The XLogP value of 3.2 indicates that (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)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)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one is 1005678-73-8.
The molecular formula of (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one is C20H21ClN4O2.
The molecular weight of (E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one is 384.1353 g/mol.
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