1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole

C161H180F6N22O15S3 — CID 159793171

About 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole

1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole (PubChem CID 159793171) has the molecular formula C161H180F6N22O15S3 and a molecular weight of 2873.54 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
• PubChem CID: 159793171
• Molecular Formula: C161H180F6N22O15S3
• Molecular Weight: 2873.54 g/mol
• Exact Mass: 2871.31
• IUPAC Name: 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
• SMILES: COc1c(C)cccc1-c1ccccn1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnccn1.COc1c(C)cccc1-c1cncs1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(CC(F)(F)F)c1.COc1c(C)cccc1-c1cnn(CC(F)F)c1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncc(C)[nH]1.COc1c(C)cccc1-c1nccc(C)n1.COc1c(C)cccc1C(=O)NCCC(C)(C)O.CSc1c(C)cccc1-c1nnc(C)o1
• InChI: InChI=1S/C14H21NO3.C13H13F3N2O.C13H14F2N2O.C13H15FN2O.C13H14N2O.C13H13NO.3C12H14N2O.C12H12N2O.C12H13NOS.C11H12N2OS.C11H11NOS/c1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-9-4-3-5-11(12(9)19-2)10-6-17-18(7-10)8-13(14,15)16;1-9-4-3-5-11(13(9)18-2)10-6-16-17(7-10)8-12(14)15;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(12(9)16-3)13-14-8-7-10(2)15-13;1-10-6-5-7-11(13(10)15-2)12-8-3-4-9-14-12;2*1-9-5-4-6-11(12(9)15-3)10-7-13-14(2)8-10;1-8-5-4-6-10(11(8)15-3)12-13-7-9(2)14-12;1-9-4-3-5-10(12(9)15-2)11-8-13-6-7-14-11;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-5-4-6-9(10(7)15-3)11-13-12-8(2)14-11;1-8-4-3-5-9(11(8)13-2)10-6-12-7-14-10/h5-7,17H,8-9H2,1-4H3,(H,15,16);3-7H,8H2,1-2H3;3-7,12H,8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,13,14);3-8H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3
• InChIKey: NIVFKAMMAQZSJG-UHFFFAOYSA-N
• XLogP: 36.74
• TPSA: 407.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.54
LogP ≤ 5	36.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole (CID 159793171) is 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole is COc1c(C)cccc1-c1ccccn1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnccn1.COc1c(C)cccc1-c1cncs1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(CC(F)(F)F)c1.COc1c(C)cccc1-c1cnn(CC(F)F)c1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncc(C)[nH]1.COc1c(C)cccc1-c1nccc(C)n1.COc1c(C)cccc1C(=O)NCCC(C)(C)O.CSc1c(C)cccc1-c1nnc(C)o1.

What is the InChIKey of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

The InChIKey is NIVFKAMMAQZSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C13H13F3N2O.C13H14F2N2O.C13H15FN2O.C13H14N2O.C13H13NO.3C12H14N2O.C12H12N2O.C12H13NOS.C11H12N2OS.C11H11NOS/c1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-9-4-3-5-11(12(9)19-2)10-6-17-18(7-10)8-13(14,15)16;1-9-4-3-5-11(13(9)18-2)10-6-16-17(7-10)8-12(14)15;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(12(9)16-3)13-14-8-7-10(2)15-13;1-10-6-5-7-11(13(10)15-2)12-8-3-4-9-14-12;2*1-9-5-4-6-11(12(9)15-3)10-7-13-14(2)8-10;1-8-5-4-6-10(11(8)15-3)12-13-7-9(2)14-12;1-9-4-3-5-10(12(9)15-2)11-8-13-6-7-14-11;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-5-4-6-9(10(7)15-3)11-13-12-8(2)14-11;1-8-4-3-5-9(11(8)13-2)10-6-12-7-14-10/h5-7,17H,8-9H2,1-4H3,(H,15,16);3-7H,8H2,1-2H3;3-7,12H,8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,13,14);3-8H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3.

What are the key properties of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole?

1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole has a molecular weight of 2873.54 g/mol, XLogP of 36.74, 34 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 159793171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).