TL;DR: 4-chloro-3,5-dimethyl-1H-pyrazole (CAS 15953-73-8) is a chemical compound with molecular formula C5H7ClN2 and molecular weight 130.02977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3,5-dimethyl-1H-pyrazole
Also Known As: 4-chloro-3,5-dimethyl-1H-pyrazole, 1H-Pyrazole, 4-chloro-3,5-dimethyl-, 4-chloro-3,5-dimethylpyrazole, 3,5-dimethyl-4-chloropyrazole, Pyrazole, 4-chloro-3,5-dimethyl-
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H7ClN2 |
| Molecular Weight | 130.02977 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.02977 Da |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| SMILES | CC1=C(C(=NN1)C)Cl |
| InChIKey | JGTUBTJLRQIMAB-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-chloro-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3,5-dimethyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-3,5-dimethyl-1H-pyrazole is 15953-73-8.
The molecular formula of 4-chloro-3,5-dimethyl-1H-pyrazole is C5H7ClN2.
The molecular weight of 4-chloro-3,5-dimethyl-1H-pyrazole is 130.02977 g/mol.
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