4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]

C118H153BrF28N22O3 — CID 160655622

About 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]

4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] (PubChem CID 160655622) has the molecular formula C118H153BrF28N22O3 and a molecular weight of 2539.52 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane].

Molecular Properties

• Compound Name: 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]
• PubChem CID: 160655622
• Molecular Formula: C118H153BrF28N22O3
• Molecular Weight: 2539.52 g/mol
• Exact Mass: 2537.12
• IUPAC Name: 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]
• SMILES: C=C(OC(C)(C)C)N1CCc2c(c(C(F)(F)F)nn2C(C)C)C1.CC(C)n1cc(C2CC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC21CC1.CC(C)n1nc(C(F)(F)F)c2c1CCNC2=O.CC(C)n1nc(C(F)(F)F)c2cc(F)ccc21.CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.CCc1c(C#CC(C)(C)C)c(C(F)(F)F)nn1C(C)C.Cc1c(Br)c(C(F)(F)F)nn1C(C)C.Cc1cc2ncn(C(C)C)c2cc1C
• InChI: InChI=1S/C16H24F3N3O.C15H21F3N2.C13H17F3N2.C12H17F3N2.C12H16N2.C11H10F4N2.C11H13F3N2O.C10H12F3N3O.C10H13F3N2.C8H10BrF3N2/c1-10(2)22-13-7-8-21(11(3)23-15(4,5)6)9-12(13)14(20-22)16(17,18)19;1-7-12-11(8-9-14(4,5)6)13(15(16,17)18)19-20(12)10(2)3;1-8(2)18-9-4-3-5-12(6-7-12)10(9)11(17-18)13(14,15)16;1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-6(2)17-9-4-3-7(12)5-8(9)10(16-17)11(13,14)15;1-6(2)16-9-7(4-3-5-8(9)17)10(15-16)11(12,13)14;1-5(2)16-6-3-4-14-9(17)7(6)8(15-16)10(11,12)13;1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13;1-4(2)14-5(3)6(9)7(13-14)8(10,11)12/h10H,3,7-9H2,1-2,4-6H3;10H,7H2,1-6H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3,(H,14,17);5-7H,3-4H2,1-2H3;4H,1-3H3
• InChIKey: RKZSEVVHPCEIEG-UHFFFAOYSA-N
• XLogP: 35.04
• TPSA: 236.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2539.52
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?

The IUPAC name of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] (CID 160655622) is 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane].

What is the SMILES notation for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?

The canonical SMILES for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] is C=C(OC(C)(C)C)N1CCc2c(c(C(F)(F)F)nn2C(C)C)C1.CC(C)n1cc(C2CC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC21CC1.CC(C)n1nc(C(F)(F)F)c2c1CCNC2=O.CC(C)n1nc(C(F)(F)F)c2cc(F)ccc21.CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.CCc1c(C#CC(C)(C)C)c(C(F)(F)F)nn1C(C)C.Cc1c(Br)c(C(F)(F)F)nn1C(C)C.Cc1cc2ncn(C(C)C)c2cc1C.

What is the InChIKey of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?

The InChIKey is RKZSEVVHPCEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O.C15H21F3N2.C13H17F3N2.C12H17F3N2.C12H16N2.C11H10F4N2.C11H13F3N2O.C10H12F3N3O.C10H13F3N2.C8H10BrF3N2/c1-10(2)22-13-7-8-21(11(3)23-15(4,5)6)9-12(13)14(20-22)16(17,18)19;1-7-12-11(8-9-14(4,5)6)13(15(16,17)18)19-20(12)10(2)3;1-8(2)18-9-4-3-5-12(6-7-12)10(9)11(17-18)13(14,15)16;1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-6(2)17-9-4-3-7(12)5-8(9)10(16-17)11(13,14)15;1-6(2)16-9-7(4-3-5-8(9)17)10(15-16)11(12,13)14;1-5(2)16-6-3-4-14-9(17)7(6)8(15-16)10(11,12)13;1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13;1-4(2)14-5(3)6(9)7(13-14)8(10,11)12/h10H,3,7-9H2,1-2,4-6H3;10H,7H2,1-6H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3,(H,14,17);5-7H,3-4H2,1-2H3;4H,1-3H3.

What are the key properties of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?

4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] has a molecular weight of 2539.52 g/mol, XLogP of 35.04, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] is sourced from PubChem (CID 160655622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).