4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C137H162BrF13N12O6S — CID 158050075

IUPAC4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C15H15N.C12H17F3N2.C12H12F3N.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO.C9H12BrF3N2/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h4-11,13,20H,12H2,1-3H3;3-11H,1-2H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13);5H,4H2,1-3H3
InChIKeyFJJHAHUTGGHFIW-UHFFFAOYSA-N
MW2431.83 g/mol
LogP38.98
Rot. Bonds18

About 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 158050075) has the molecular formula C137H162BrF13N12O6S and a molecular weight of 2431.83 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID158050075
Molecular FormulaC137H162BrF13N12O6S
Molecular Weight2431.83 g/mol
Exact Mass2429.14
IUPAC Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C15H15N.C12H17F3N2.C12H12F3N.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO.C9H12BrF3N2/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h4-11,13,20H,12H2,1-3H3;3-11H,1-2H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13);5H,4H2,1-3H3
InChIKeyFJJHAHUTGGHFIW-UHFFFAOYSA-N
XLogP38.98
TPSA223.48 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.83
LogP ≤ 538.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 158050075) is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.
What is the InChIKey of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is FJJHAHUTGGHFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C15H15N.C12H17F3N2.C12H12F3N.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO.C9H12BrF3N2/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h4-11,13,20H,12H2,1-3H3;3-11H,1-2H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13);5H,4H2,1-3H3.
What are the key properties of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 2431.83 g/mol, XLogP of 38.98, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 158050075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).