TL;DR: RH 3421 (CAS 99832-61-8) is a chemical compound with molecular formula C20H17ClF3N3O3 and molecular weight 439.09106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylate
Also Known As: RH 3421, Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate, methyl 5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylate, methyl 3-(4-chlorophenyl)-4-methyl-1-{[4-(trifluoromethyl)phenyl]carbamoyl}-4,5-dihydro-1h-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-, methyl ester
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H17ClF3N3O3 |
| Molecular Weight | 439.09106 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.09106 Da |
| Heavy Atoms | 30 |
| Complexity | 687.0 |
| SMILES | CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)OC |
| InChIKey | NWYXCHPAIGQKNN-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that RH 3421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RH 3421. Following Lipinski's Rule of Five, RH 3421 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RH 3421 is 99832-61-8.
The molecular formula of RH 3421 is C20H17ClF3N3O3.
The molecular weight of RH 3421 is 439.09106 g/mol.
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