TL;DR: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide (CAS 1005650-81-6) is a chemical compound with molecular formula C15H21BrN6O3 and molecular weight 412.08585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
Also Known As: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide, N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamide, N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide, N~1~-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPYL]-3-(5-METHYL-4-NITRO-1H-PYRAZOL-1-YL)PROPANAMIDE
| Molecular Formula | C15H21BrN6O3 |
| Molecular Weight | 412.08585 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.08585 Da |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
| SMILES | CC1=C(C=NN1CCC(=O)NCCCN2C(=C(C(=N2)C)Br)C)[N+](=O)[O-] |
| InChIKey | KPJWYRRRJZIOSP-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide. Following Lipinski's Rule of Five, N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide 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 N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide is 1005650-81-6.
The molecular formula of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide is C15H21BrN6O3.
The molecular weight of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide is 412.08585 g/mol.
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