TL;DR: [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone (CAS 105420-30-2) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
Also Known As: NCIOpen2_002000, KST-1A0456, [4-(4-methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone, [4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone, Methanone,[4,5-dihydro-4-(4-methoxyphenyl)-3H-pyrazol-3-yl]phenyl-
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.1212 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.1212 Da |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
| SMILES | COC1=CC=C(C=C1)C2CN=NC2C(=O)C3=CC=CC=C3 |
| InChIKey | UMLPMFSGVFWLJO-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone 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 [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone is 105420-30-2.
The molecular formula of [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone is C17H16N2O2.
The molecular weight of [4-(4-Methoxyphenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone is 280.1212 g/mol.
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