TL;DR: 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one (CAS 1022918-78-0) is a chemical compound with molecular formula C18H21N3O3 and molecular weight 327.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
Also Known As: 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one, 3-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-1-propyl-2H-indol-2-one, 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one, 3-[2-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-OXOETHYL]-3-HYDROXY-1-PROPYL-2,3-DIHYDRO-1H-INDOL-2-ONE
| Molecular Formula | C18H21N3O3 |
| Molecular Weight | 327.1583 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1583 Da |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
| SMILES | CCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=C(NN=C3C)C)O |
| InChIKey | NJDMCBNRSIXFOC-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is 1022918-78-0.
The molecular formula of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is C18H21N3O3.
The molecular weight of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one is 327.1583 g/mol.
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