1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane

C102H118B3Br2Cl2F21IN19O10 — CID 159456683

About 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane

1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane (PubChem CID 159456683) has the molecular formula C102H118B3Br2Cl2F21IN19O10 and a molecular weight of 2559.20 g/mol. Its IUPAC name is 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

• Compound Name: 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
• PubChem CID: 159456683
• Molecular Formula: C102H118B3Br2Cl2F21IN19O10
• Molecular Weight: 2559.20 g/mol
• Exact Mass: 2555.60
• IUPAC Name: 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
• SMILES: C=CB1OB(C=C)OB(C=C)O1.C=CCBr.C=CCC(C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C)n1c(C)nc(C(F)(F)F)c1C=C.C=CCC(C(=O)O)n1c(C)nc(C(F)(F)F)c1C=C.C=CCC(C(C)=O)n1c(C)nc(C(F)(F)F)c1C=C.C=Cc1c(C(F)(F)F)nc(C)n1CC(C)=O.C=Cc1nc(C)[nH]c1C(F)(F)F.CC(=O)CBr.CC(C)c1c(N)cnn1-c1ccc(Cl)cc1.CO.Cc1nc(I)c(C(F)(F)F)[nH]1.Cc1ncc(C(F)(F)F)[nH]1
• InChI: InChI=1S/C25H26ClF3N4O.C13H15F3N2O.C12H14ClN3.C12H13F3N2O2.C10H11F3N2O.C7H7F3N2.C6H9B3O3.C5H4F3IN2.C5H5F3N2.C3H5BrO.C3H5Br.CH4O/c1-6-8-21(32-16(5)31-24(20(32)7-2)25(27,28)29)22(34)13-17-14-30-33(23(17)15(3)4)19-11-9-18(26)10-12-19;1-5-7-11(8(3)19)18-9(4)17-12(10(18)6-2)13(14,15)16;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-4-6-9(11(18)19)17-7(3)16-10(8(17)5-2)12(13,14)15;1-4-8-9(10(11,12)13)14-7(3)15(8)5-6(2)16;1-3-5-6(7(8,9)10)12-4(2)11-5;1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-10-3(4(9)11-2)5(6,7)8;1-3-9-2-4(10-3)5(6,7)8;1-3(5)2-4;1-2-3-4;1-2/h6-7,9-12,14-15,21H,1-2,8,13H2,3-5H3;5-6,11H,1-2,7H2,3-4H3;3-8H,14H2,1-2H3;4-5,9H,1-2,6H2,3H3,(H,18,19);4H,1,5H2,2-3H3;3H,1H2,2H3,(H,11,12);4-6H,1-3H2;1H3,(H,10,11);2H,1H3,(H,9,10);2H2,1H3;2H,1,3H2;2H,1H3
• InChIKey: LUBILAOMBYAKBG-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 372.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.20
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?

The IUPAC name of 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane (CID 159456683) is 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane.

What is the SMILES notation for 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?

The canonical SMILES for 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane is C=CB1OB(C=C)OB(C=C)O1.C=CCBr.C=CCC(C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C)n1c(C)nc(C(F)(F)F)c1C=C.C=CCC(C(=O)O)n1c(C)nc(C(F)(F)F)c1C=C.C=CCC(C(C)=O)n1c(C)nc(C(F)(F)F)c1C=C.C=Cc1c(C(F)(F)F)nc(C)n1CC(C)=O.C=Cc1nc(C)[nH]c1C(F)(F)F.CC(=O)CBr.CC(C)c1c(N)cnn1-c1ccc(Cl)cc1.CO.Cc1nc(I)c(C(F)(F)F)[nH]1.Cc1ncc(C(F)(F)F)[nH]1.

What is the InChIKey of 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?

The InChIKey is LUBILAOMBYAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N4O.C13H15F3N2O.C12H14ClN3.C12H13F3N2O2.C10H11F3N2O.C7H7F3N2.C6H9B3O3.C5H4F3IN2.C5H5F3N2.C3H5BrO.C3H5Br.CH4O/c1-6-8-21(32-16(5)31-24(20(32)7-2)25(27,28)29)22(34)13-17-14-30-33(23(17)15(3)4)19-11-9-18(26)10-12-19;1-5-7-11(8(3)19)18-9(4)17-12(10(18)6-2)13(14,15)16;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-4-6-9(11(18)19)17-7(3)16-10(8(17)5-2)12(13,14)15;1-4-8-9(10(11,12)13)14-7(3)15(8)5-6(2)16;1-3-5-6(7(8,9)10)12-4(2)11-5;1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-10-3(4(9)11-2)5(6,7)8;1-3-9-2-4(10-3)5(6,7)8;1-3(5)2-4;1-2-3-4;1-2/h6-7,9-12,14-15,21H,1-2,8,13H2,3-5H3;5-6,11H,1-2,7H2,3-4H3;3-8H,14H2,1-2H3;4-5,9H,1-2,6H2,3H3,(H,18,19);4H,1,5H2,2-3H3;3H,1H2,2H3,(H,11,12);4-6H,1-3H2;1H3,(H,10,11);2H,1H3,(H,9,10);2H2,1H3;2H,1,3H2;2H,1H3.

What are the key properties of 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane?

1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 2559.20 g/mol, XLogP of 28.33, 30 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 159456683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).