TL;DR: 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine (CAS 1024018-46-9) is a chemical compound with molecular formula C19H17Cl2N5O2 and molecular weight 417.07593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridine
Also Known As: 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine, 8X-0030, 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridine, 2-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-3-nitropyridine, 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine
| Molecular Formula | C19H17Cl2N5O2 |
| Molecular Weight | 417.07593 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.07593 Da |
| Heavy Atoms | 28 |
| Complexity | 543.0 |
| SMILES | C1CN(CCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=CC=N4)[N+](=O)[O-] |
| InChIKey | YRZFCIYJGPXHAI-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine. Following Lipinski's Rule of Five, 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine is 1024018-46-9.
The molecular formula of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine is C19H17Cl2N5O2.
The molecular weight of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-1-(3-nitro-2-pyridinyl)piperidine is 417.07593 g/mol.
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