5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

C125H160F25N23O2 — CID 158573726

About 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 158573726) has the molecular formula C125H160F25N23O2 and a molecular weight of 2491.76 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
• PubChem CID: 158573726
• Molecular Formula: C125H160F25N23O2
• Molecular Weight: 2491.76 g/mol
• Exact Mass: 2490.27
• IUPAC Name: 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
• SMILES: C=C(N)c1cn(C(C)C)nc1C(F)(F)F.C=C(O)c1cn(C(C)C)nc1C(F)(F)F.C=C1C=C(C)c2ccccc2N1C(C)C.C=C1CCc2c(C(F)(F)F)nn(C(C)C)c2C1.C=C1Cc2ccccc2N1C(C)C.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C
• InChI: InChI=1S/C14H17N.C13H13F5N2O.C13H15F3N2.C12H15F3N2.C12H16N2.C12H15N.C11H16F3N3.C10H16F3N3.C10H14F2N2.C9H12F3N3.C9H11F3N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-7(2)17-10-6-8(3)4-5-9(10)11(16-17)12(13,14)15;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-5(2)15-4-7(6(3)13)8(14-15)9(10,11)12;1-5(2)14-4-7(6(3)15)8(13-14)9(10,11)12/h5-10H,4H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;7H,3-6H2,1-2H3;5-8H,1-4H3;4-7,9H,3,8H2,1-2H3;7H,4-6H2,1-3H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;4-5H,3,13H2,1-2H3;4-5,15H,3H2,1-2H3
• InChIKey: HSJZCPXRJVBBCN-UHFFFAOYSA-N
• XLogP: 36.21
• TPSA: 237.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2491.76
LogP ≤ 5	36.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?

The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (CID 158573726) is 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?

The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is C=C(N)c1cn(C(C)C)nc1C(F)(F)F.C=C(O)c1cn(C(C)C)nc1C(F)(F)F.C=C1C=C(C)c2ccccc2N1C(C)C.C=C1CCc2c(C(F)(F)F)nn(C(C)C)c2C1.C=C1Cc2ccccc2N1C(C)C.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C.

What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?

The InChIKey is HSJZCPXRJVBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H13F5N2O.C13H15F3N2.C12H15F3N2.C12H16N2.C12H15N.C11H16F3N3.C10H16F3N3.C10H14F2N2.C9H12F3N3.C9H11F3N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-7(2)17-10-6-8(3)4-5-9(10)11(16-17)12(13,14)15;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-5(2)15-4-7(6(3)13)8(14-15)9(10,11)12;1-5(2)14-4-7(6(3)15)8(13-14)9(10,11)12/h5-10H,4H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;7H,3-6H2,1-2H3;5-8H,1-4H3;4-7,9H,3,8H2,1-2H3;7H,4-6H2,1-3H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;4-5H,3,13H2,1-2H3;4-5,15H,3H2,1-2H3.

What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?

5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 2491.76 g/mol, XLogP of 36.21, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 158573726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).