TL;DR: 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine (CAS 1000802-71-0) is a chemical compound with molecular formula C7H12BrN3 and molecular weight 217.02145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine
Also Known As: 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine, 3-(4-Bromo-3-methyl-pyrazol-1-yl)-propylamine, 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine, 4-bromo-3-methyl-1H-Pyrazole-1-propanamine, 3-(4-bromo-3-methylpyrazolyl)propylamine
| Molecular Formula | C7H12BrN3 |
| Molecular Weight | 217.02145 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.02145 Da |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
| SMILES | CC1=NN(C=C1Br)CCCN |
| InChIKey | PXLXYGZGMUHEBV-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine. With a topological polar surface area (TPSA) of 43.8 Ų, 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine is 1000802-71-0.
The molecular formula of 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine is C7H12BrN3.
The molecular weight of 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine is 217.02145 g/mol.
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