TL;DR: 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide (CAS 1005580-74-4) is a chemical compound with molecular formula C11H13Cl2N5O and molecular weight 301.0497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
Also Known As: 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide, 4-chloro-N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-1H-pyrazole-3-carboxamide, 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methyl-pyrazole-3-carboxamide
| Molecular Formula | C11H13Cl2N5O |
| Molecular Weight | 301.0497 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0497 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | CN1C=C(C(=N1)C(=O)NCCCN2C=C(C=N2)Cl)Cl |
| InChIKey | AKYRKFHCWDURJD-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is 1005580-74-4.
The molecular formula of 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is C11H13Cl2N5O.
The molecular weight of 4-chloro-N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is 301.0497 g/mol.
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