TL;DR: 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide (CAS 1005687-35-3) is a chemical compound with molecular formula C12H16ClN5O and molecular weight 281.10434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
Also Known As: 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide, 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, (4-chloro-1,3-dimethylpyrazol-5-yl)-N-(3-imidazolylpropyl)carboxamide, 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethyl-pyrazole-3-carboxamide
| Molecular Formula | C12H16ClN5O |
| Molecular Weight | 281.10434 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.10434 Da |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
| SMILES | CC1=NN(C(=C1Cl)C(=O)NCCCN2C=CN=C2)C |
| InChIKey | YXLPBPVJWZWWIN-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-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-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide is 1005687-35-3.
The molecular formula of 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide is C12H16ClN5O.
The molecular weight of 4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide is 281.10434 g/mol.
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