1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

C127H161F4N15O12S2 — CID 167592563

About 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 167592563) has the molecular formula C127H161F4N15O12S2 and a molecular weight of 2229.90 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
• PubChem CID: 167592563
• Molecular Formula: C127H161F4N15O12S2
• Molecular Weight: 2229.90 g/mol
• Exact Mass: 2228.18
• IUPAC Name: 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
• SMILES: COc1c(-c2cn[nH]c2)cccc1C(C)C.COc1c(-c2cnc(C)s2)cccc1C(C)C.COc1c(-c2cncs2)cccc1C(C)C.COc1c(-c2cnn(C)c2)cccc1C(C)C.COc1c(-c2cnn(CC(F)(F)F)c2)cccc1C(C)C.COc1c(-c2cnn(CCF)c2)cccc1C(C)C.COc1c(-c2ncc(C)[nH]2)cccc1C(C)C.COc1c(-c2nnc(C)o2)cccc1C(C)C.COc1c(C(=O)NCCC(C)(C)O)cccc1C(C)C
• InChI: InChI=1S/C16H25NO3.C15H17F3N2O.C15H19FN2O.2C14H18N2O.C14H17NOS.C13H16N2O2.C13H16N2O.C13H15NOS/c1-11(2)12-7-6-8-13(14(12)20-5)15(18)17-10-9-16(3,4)19;1-10(2)12-5-4-6-13(14(12)21-3)11-7-19-20(8-11)9-15(16,17)18;1-11(2)13-5-4-6-14(15(13)19-3)12-9-17-18(10-12)8-7-16;1-10(2)12-6-5-7-13(14(12)17-4)11-8-15-16(3)9-11;1-9(2)11-6-5-7-12(13(11)17-4)14-15-8-10(3)16-14;1-9(2)11-6-5-7-12(14(11)16-4)13-8-15-10(3)17-13;1-8(2)10-6-5-7-11(12(10)16-4)13-15-14-9(3)17-13;1-9(2)11-5-4-6-12(13(11)16-3)10-7-14-15-8-10;1-9(2)10-5-4-6-11(13(10)15-3)12-7-14-8-16-12/h6-8,11,19H,9-10H2,1-5H3,(H,17,18);4-8,10H,9H2,1-3H3;4-6,9-11H,7-8H2,1-3H3;5-10H,1-4H3;5-9H,1-4H3,(H,15,16);5-9H,1-4H3;5-8H,1-4H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3
• InChIKey: IPSZCEZVBVTOCC-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 307.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2229.90
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The IUPAC name of 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 167592563) is 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

What is the SMILES notation for 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The canonical SMILES for 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is COc1c(-c2cn[nH]c2)cccc1C(C)C.COc1c(-c2cnc(C)s2)cccc1C(C)C.COc1c(-c2cncs2)cccc1C(C)C.COc1c(-c2cnn(C)c2)cccc1C(C)C.COc1c(-c2cnn(CC(F)(F)F)c2)cccc1C(C)C.COc1c(-c2cnn(CCF)c2)cccc1C(C)C.COc1c(-c2ncc(C)[nH]2)cccc1C(C)C.COc1c(-c2nnc(C)o2)cccc1C(C)C.COc1c(C(=O)NCCC(C)(C)O)cccc1C(C)C.

What is the InChIKey of 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The InChIKey is IPSZCEZVBVTOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.C15H17F3N2O.C15H19FN2O.2C14H18N2O.C14H17NOS.C13H16N2O2.C13H16N2O.C13H15NOS/c1-11(2)12-7-6-8-13(14(12)20-5)15(18)17-10-9-16(3,4)19;1-10(2)12-5-4-6-13(14(12)21-3)11-7-19-20(8-11)9-15(16,17)18;1-11(2)13-5-4-6-14(15(13)19-3)12-9-17-18(10-12)8-7-16;1-10(2)12-6-5-7-13(14(12)17-4)11-8-15-16(3)9-11;1-9(2)11-6-5-7-12(13(11)17-4)14-15-8-10(3)16-14;1-9(2)11-6-5-7-12(14(11)16-4)13-8-15-10(3)17-13;1-8(2)10-6-5-7-11(12(10)16-4)13-15-14-9(3)17-13;1-9(2)11-5-4-6-12(13(11)16-3)10-7-14-15-8-10;1-9(2)10-5-4-6-11(13(10)15-3)12-7-14-8-16-12/h6-8,11,19H,9-10H2,1-5H3,(H,17,18);4-8,10H,9H2,1-3H3;4-6,9-11H,7-8H2,1-3H3;5-10H,1-4H3;5-9H,1-4H3,(H,15,16);5-9H,1-4H3;5-8H,1-4H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3.

What are the key properties of 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 2229.90 g/mol, XLogP of 31.92, 33 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-4-(2-methoxy-3-propan-2-ylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-imidazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1H-pyrazole;5-(2-methoxy-3-propan-2-ylphenyl)-1,3-thiazole;4-(2-methoxy-3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 167592563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).