About 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione
1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 158071257) has the molecular formula C125H134N36O20
and a molecular weight of 2460.68 g/mol. Its IUPAC name is 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione.
Frequently Asked Questions
What is the IUPAC name of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione (CID 158071257) is 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione is CCCn1c(=O)n(-c2cnn(Cc3c(C)noc3C)c2)c(=O)n1Cc1ccccc1.CCn1c(=O)n(-c2cnn(Cc3c(C)noc3C)c2)c(=O)n1Cc1ccccc1.COCCn1c(=O)n(-c2cnn(Cc3c(C)noc3C)c2)c(=O)n1Cc1ccccc1.COCn1c(=O)n(-c2cnn(Cc3c(C)noc3C)c2)c(=O)n1Cc1ccccc1.Cc1noc(C)c1Cn1cc(-n2c(=O)[nH]n(Cc3ccccc3)c2=O)cn1.Cc1noc(C)c1Cn1cc(-n2c(=O)n(Cc3ccccc3)n(Cc3ccccc3)c2=O)cn1.
What is the InChIKey of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is FLVPTMRKVXJUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3.C21H24N6O4.C21H24N6O3.C20H22N6O4.C20H22N6O3.C18H18N6O3/c1-18-23(19(2)34-27-18)17-28-16-22(13-26-28)31-24(32)29(14-20-9-5-3-6-10-20)30(25(31)33)15-21-11-7-4-8-12-21;1-15-19(16(2)31-23-15)14-24-13-18(11-22-24)27-20(28)25(9-10-30-3)26(21(27)29)12-17-7-5-4-6-8-17;1-4-10-25-20(28)27(21(29)26(25)12-17-8-6-5-7-9-17)18-11-22-24(13-18)14-19-15(2)23-30-16(19)3;1-14-18(15(2)30-22-14)12-23-11-17(9-21-23)26-19(27)24(25(13-29-3)20(26)28)10-16-7-5-4-6-8-16;1-4-24-19(27)26(20(28)25(24)11-16-8-6-5-7-9-16)17-10-21-23(12-17)13-18-14(2)22-29-15(18)3;1-12-16(13(2)27-21-12)11-22-10-15(8-19-22)24-17(25)20-23(18(24)26)9-14-6-4-3-5-7-14/h3-13,16H,14-15,17H2,1-2H3;4-8,11,13H,9-10,12,14H2,1-3H3;5-9,11,13H,4,10,12,14H2,1-3H3;4-9,11H,10,12-13H2,1-3H3;5-10,12H,4,11,13H2,1-3H3;3-8,10H,9,11H2,1-2H3,(H,20,25).
What are the key properties of 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione?
1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 2460.68 g/mol, XLogP of 10.45, 40 rotatable bonds, 1 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(methoxymethyl)-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-propyl-1,2,4-triazolidine-3,5-dione;1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione;1,2-dibenzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 158071257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).