TL;DR: 1-[(4-Nitropyrazol-1-yl)methyl]piperidine (CAS 1005608-82-1) is a chemical compound with molecular formula C9H14N4O2 and molecular weight 210.11168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-nitropyrazol-1-yl)methyl]piperidine
Also Known As: 1-[(4-nitropyrazol-1-yl)methyl]piperidine, 4-nitro-1-(piperidylmethyl)pyrazole, 1-[(4-nitro-1H-pyrazol-1-yl)methyl]piperidine
| Molecular Formula | C9H14N4O2 |
| Molecular Weight | 210.11168 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11168 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | C1CCN(CC1)CN2C=C(C=N2)[N+](=O)[O-] |
| InChIKey | BTSFJYZRYWFYEK-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Nitropyrazol-1-yl)methyl]piperidine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Nitropyrazol-1-yl)methyl]piperidine. Following Lipinski's Rule of Five, 1-[(4-Nitropyrazol-1-yl)methyl]piperidine 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 1-[(4-Nitropyrazol-1-yl)methyl]piperidine is 1005608-82-1.
The molecular formula of 1-[(4-Nitropyrazol-1-yl)methyl]piperidine is C9H14N4O2.
The molecular weight of 1-[(4-Nitropyrazol-1-yl)methyl]piperidine is 210.11168 g/mol.
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