TL;DR: 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide (CAS 1005591-44-5) is a chemical compound with molecular formula C13H17BrN6O2 and molecular weight 368.05963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
Also Known As: 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide, 4-{[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide, 4-[3-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-N,1-dimethyl-pyrazole-3-carboxamide
| Molecular Formula | C13H17BrN6O2 |
| Molecular Weight | 368.05963 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.05963 Da |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
| SMILES | CC1=NN(C=C1Br)CCC(=O)NC2=CN(N=C2C(=O)NC)C |
| InChIKey | ZFGROFRBZHOESG-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide has 2 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 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is 1005591-44-5.
The molecular formula of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is C13H17BrN6O2.
The molecular weight of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is 368.05963 g/mol.
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