TL;DR: (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide (CAS 1147365-83-0) is a chemical compound with molecular formula C18H18Cl2N4O and molecular weight 376.08575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide
Also Known As: (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide, 3-{5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}-2-cyano-N-(propan-2-yl)prop-2-enamide
| Molecular Formula | C18H18Cl2N4O |
| Molecular Weight | 376.08575 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.08575 Da |
| Heavy Atoms | 25 |
| Complexity | 557.0 |
| SMILES | CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC(C)C)Cl)CC2=CC=CC=C2Cl |
| InChIKey | TUMCMRQUGNNKNM-RIYZIHGNSA-N |
The XLogP value of 4.2 indicates that (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide 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 (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide is 1147365-83-0.
The molecular formula of (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide is C18H18Cl2N4O.
The molecular weight of (E)-3-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide is 376.08575 g/mol.
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