TL;DR: 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CAS 1005567-77-0) is a chemical compound with molecular formula C24H25N5O4 and molecular weight 447.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
Also Known As: 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide, 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide, 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzamide, 2-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]-N-[4-(PIPERIDINOCARBONYL)PHENYL]BENZAMIDE
| Molecular Formula | C24H25N5O4 |
| Molecular Weight | 447.19064 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.19064 Da |
| Heavy Atoms | 33 |
| Complexity | 699.0 |
| SMILES | CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4)[N+](=O)[O-] |
| InChIKey | CBDLGPLMOVVYDA-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide. Following Lipinski's Rule of Five, 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide 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 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is 1005567-77-0.
The molecular formula of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is C24H25N5O4.
The molecular weight of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is 447.19064 g/mol.
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