TL;DR: 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide (CAS 1005667-78-6) is a chemical compound with molecular formula C17H26BrN3O and molecular weight 367.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide
Also Known As: 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide, 4-bromo-N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide, 4-bromo-N,N-dicyclohexyl-2-methyl-pyrazole-3-carboxamide
| Molecular Formula | C17H26BrN3O |
| Molecular Weight | 367.12592 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.12592 Da |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
| SMILES | CN1C(=C(C=N1)Br)C(=O)N(C2CCCCC2)C3CCCCC3 |
| InChIKey | DXXKBUWHFPDERK-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide has 0 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 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is 1005667-78-6.
The molecular formula of 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is C17H26BrN3O.
The molecular weight of 4-bromo-N,N-dicyclohexyl-2-methylpyrazole-3-carboxamide is 367.12592 g/mol.
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