5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole

C77H103Cl2F3N10 — CID 159032406

About 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole

5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole (PubChem CID 159032406) has the molecular formula C77H103Cl2F3N10 and a molecular weight of 1296.64 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
• PubChem CID: 159032406
• Molecular Formula: C77H103Cl2F3N10
• Molecular Weight: 1296.64 g/mol
• Exact Mass: 1294.77
• IUPAC Name: 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
• 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)(C)c1cc(C2CC2)nn1-c1ccc(Cl)cc1.Cc1cc(C(C)(C)C)n(C)n1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1
• InChI: InChI=1S/C18H26N2.C17H23ClN2.C17H19F3N2.C16H19ClN2.C9H16N2/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;1-16(2,3)15-10-14(11-4-5-11)18-19(15)13-8-6-12(17)7-9-13;1-7-6-8(9(2,3)4)11(5)10-7/h8-12H,1-7H3;7-11H,1-6H3;6-11H,4-5H2,1-3H3;6-11H,4-5H2,1-3H3;6H,1-5H3
• InChIKey: JVASLEUWWJDNQZ-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1296.64
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole (CID 159032406) is 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole.

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

The canonical SMILES for 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole 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)(C)c1cc(C2CC2)nn1-c1ccc(Cl)cc1.Cc1cc(C(C)(C)C)n(C)n1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.

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

The InChIKey is JVASLEUWWJDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.C17H23ClN2.C17H19F3N2.C16H19ClN2.C9H16N2/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;1-16(2,3)15-10-14(11-4-5-11)18-19(15)13-8-6-12(17)7-9-13;1-7-6-8(9(2,3)4)11(5)10-7/h8-12H,1-7H3;7-11H,1-6H3;6-11H,4-5H2,1-3H3;6-11H,4-5H2,1-3H3;6H,1-5H3.

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

5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole has a molecular weight of 1296.64 g/mol, XLogP of 21.69, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 159032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).