TL;DR: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide (CAS 1095752-24-1) is a chemical compound with molecular formula C22H20N6O4S and molecular weight 464.12668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
Also Known As: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide, (5Z)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-dihydropyrazole-3-carboxamide, 3-(2-hydroxy-4,5-dimethylphenyl)-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)-1H-pyrazole-5-carboxamide, 5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C22H20N6O4S |
| Molecular Weight | 464.12668 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.12668 Da |
| Heavy Atoms | 33 |
| Complexity | 763.0 |
| SMILES | CC1=CC(=C(C=C1C)O)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 |
| InChIKey | FVBFCVCHPOCBDS-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide. The TPSA of 158.0 Ų indicates high polarity, suggesting 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide is 1095752-24-1.
The molecular formula of 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide is C22H20N6O4S.
The molecular weight of 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide is 464.12668 g/mol.
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