4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

C161H159Cl15F19N33O4 — CID 161163339

About 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (PubChem CID 161163339) has the molecular formula C161H159Cl15F19N33O4 and a molecular weight of 3513.03 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.

Molecular Properties

• Compound Name: 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
• PubChem CID: 161163339
• Molecular Formula: C161H159Cl15F19N33O4
• Molecular Weight: 3513.03 g/mol
• Exact Mass: 3503.83
• IUPAC Name: 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
• SMILES: CC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(CF)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Cl)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(C(=O)O)c2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(Cl)c2)ccc(Cl)c1F.CC(C)c1c(-n2cncn2)ccc(Cl)c1F.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.Cc1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1
• InChI: InChI=1S/C14H15ClFN3.2C13H12ClFN2O2.2C13H14ClFN2.2C12H11Cl2FN2.C12H10ClF4N3.C12H11ClF3N3.C12H12ClF2N3.2C12H13ClFN3.C11H11ClFN3/c1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(5-16-17)13(18)19;1-7(2)11-10(4-3-8(14)12(11)15)17-5-9(13(18)19)16-6-17;2*1-8(2)12-11(5-4-10(14)13(12)15)17-7-9(3)6-16-17;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(13)5-16-17;1-7(2)11-9(4-3-8(13)12(11)15)17-5-10(14)16-6-17;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)11-10(4-3-9(13)12(11)15)18-6-8(5-14)16-17-18;2*1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-7(2)10-9(16-6-14-5-15-16)4-3-8(12)11(10)13/h5-9H,3-4H2,1-2H3;2*3-7H,1-2H3,(H,18,19);2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6,12H,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3
• InChIKey: UQFBEZLEXQIEAB-UHFFFAOYSA-N
• XLogP: 50.25
• TPSA: 396.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3513.03
LogP ≤ 5	50.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (CID 161163339) is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.

What is the SMILES notation for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The canonical SMILES for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is CC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(CF)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Cl)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(C(=O)O)c2)ccc(Cl)c1F.CC(C)c1c(-n2cnc(Cl)c2)ccc(Cl)c1F.CC(C)c1c(-n2cncn2)ccc(Cl)c1F.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.Cc1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.

What is the InChIKey of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The InChIKey is UQFBEZLEXQIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3.2C13H12ClFN2O2.2C13H14ClFN2.2C12H11Cl2FN2.C12H10ClF4N3.C12H11ClF3N3.C12H12ClF2N3.2C12H13ClFN3.C11H11ClFN3/c1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(5-16-17)13(18)19;1-7(2)11-10(4-3-8(14)12(11)15)17-5-9(13(18)19)16-6-17;2*1-8(2)12-11(5-4-10(14)13(12)15)17-7-9(3)6-16-17;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(13)5-16-17;1-7(2)11-9(4-3-8(13)12(11)15)17-5-10(14)16-6-17;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)11-10(4-3-9(13)12(11)15)18-6-8(5-14)16-17-18;2*1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-7(2)10-9(16-6-14-5-15-16)4-3-8(12)11(10)13/h5-9H,3-4H2,1-2H3;2*3-7H,1-2H3,(H,18,19);2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6,12H,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3.

What are the key properties of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole has a molecular weight of 3513.03 g/mol, XLogP of 50.25, 31 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is sourced from PubChem (CID 161163339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).