5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole

C79H107Cl2F3N10 — CID 162043502

About 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole

5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole (PubChem CID 162043502) has the molecular formula C79H107Cl2F3N10 and a molecular weight of 1324.69 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole
• PubChem CID: 162043502
• Molecular Formula: C79H107Cl2F3N10
• Molecular Weight: 1324.69 g/mol
• Exact Mass: 1322.80
• IUPAC Name: 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole
• SMILES: CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1.CC(C)(C)c1cc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1.CC(C)c1cc(C2CC2)nn1-c1ccc(Cl)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.Cn1nc(C(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C18H26N2.C17H23ClN2.C17H19F3N2.C15H17ClN2.C12H22N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4;1-16(2,3)14-11-15(17(4,5)6)20(19-14)13-9-7-12(18)8-10-13;1-16(2,3)15-10-14(11-4-5-11)21-22(15)13-8-6-12(7-9-13)17(18,19)20;1-10(2)15-9-14(11-3-4-11)17-18(15)13-7-5-12(16)6-8-13;1-11(2,3)9-8-10(12(4,5)6)14(7)13-9/h8-12H,1-7H3;7-11H,1-6H3;6-11H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;8H,1-7H3
• InChIKey: YXPAOEIKYOWGAF-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1324.69
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole?

The IUPAC name of 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole (CID 162043502) is 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole.

What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole?

The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole is CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1.CC(C)(C)c1cc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1.CC(C)c1cc(C2CC2)nn1-c1ccc(Cl)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.Cn1nc(C(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole?

The InChIKey is YXPAOEIKYOWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.C17H23ClN2.C17H19F3N2.C15H17ClN2.C12H22N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4;1-16(2,3)14-11-15(17(4,5)6)20(19-14)13-9-7-12(18)8-10-13;1-16(2,3)15-10-14(11-4-5-11)21-22(15)13-8-6-12(7-9-13)17(18,19)20;1-10(2)15-9-14(11-3-4-11)17-18(15)13-7-5-12(16)6-8-13;1-11(2,3)9-8-10(12(4,5)6)14(7)13-9/h8-12H,1-7H3;7-11H,1-6H3;6-11H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;8H,1-7H3.

What are the key properties of 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole?

5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole has a molecular weight of 1324.69 g/mol, XLogP of 22.50, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole is sourced from PubChem (CID 162043502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).