TL;DR: 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid (CAS 134701-70-5) is a chemical compound with molecular formula C30H32N2O2 and molecular weight 452.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(3,4,5-triphenylpyrazol-1-yl)nonanoic acid
Also Known As: 3,4,5-Tpna, 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid, BMY 42239, 9-(3,4,5-triphenylpyrazol-1-yl)nonanoic acid, 3,4,5-triphenyl-1H-pyrazole-1-nonanoicacid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H32N2O2 |
| Molecular Weight | 452.24637 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.24637 Da |
| Heavy Atoms | 34 |
| Complexity | 578.0 |
| SMILES | C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)O)C4=CC=CC=C4 |
| InChIKey | UQKNBUMTTCHIOJ-UHFFFAOYSA-N |
The XLogP value of 7.3 indicates that 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid is 134701-70-5.
The molecular formula of 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid is C30H32N2O2.
The molecular weight of 3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid is 452.24637 g/mol.
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