tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one

C131H167ClF15N17O4 — CID 159080950

IUPACtert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(F)(F)F)c2c1CCC2=O.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC1=C(C(C)C)c2ccccc2C1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H20N2O2.C14H17NO.C13H18N2.C13H17N.C13H16.C12H16N2.C11H12ClN.C11H12F6N2.C10H11F3N2O.C10H15F3N2.C9H13F3N2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10/h6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;5,9H,3-4H2,1-2H3;5H,3-4H2,1-2H3;5,7,10H,1-4H3;4-6,9H,1-3H3
InChIKeyKAVRPKLIRINLRI-UHFFFAOYSA-N
MW2364.31 g/mol
LogP39.11
Rot. Bonds18

About tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one (PubChem CID 159080950) has the molecular formula C131H167ClF15N17O4 and a molecular weight of 2364.31 g/mol. Its IUPAC name is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
PubChem CID159080950
Molecular FormulaC131H167ClF15N17O4
Molecular Weight2364.31 g/mol
Exact Mass2362.28
IUPAC Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(F)(F)F)c2c1CCC2=O.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC1=C(C(C)C)c2ccccc2C1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H20N2O2.C14H17NO.C13H18N2.C13H17N.C13H16.C12H16N2.C11H12ClN.C11H12F6N2.C10H11F3N2O.C10H15F3N2.C9H13F3N2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10/h6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;5,9H,3-4H2,1-2H3;5H,3-4H2,1-2H3;5,7,10H,1-4H3;4-6,9H,1-3H3
InChIKeyKAVRPKLIRINLRI-UHFFFAOYSA-N
XLogP39.11
TPSA212.24 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002364.31
LogP ≤ 539.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one (CID 159080950) is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one.
What is the SMILES notation for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The canonical SMILES for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one is CC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(F)(F)F)c2c1CCC2=O.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(F)c1cc(C(F)F)n(C(C)C)n1.CC1=C(C(C)C)c2ccccc2C1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The InChIKey is KAVRPKLIRINLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C14H17NO.C13H18N2.C13H17N.C13H16.C12H16N2.C11H12ClN.C11H12F6N2.C10H11F3N2O.C10H15F3N2.C9H13F3N2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-5(2)14-8(9(11)12)4-7(13-14)6(3)10/h6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;5,9H,3-4H2,1-2H3;5H,3-4H2,1-2H3;5,7,10H,1-4H3;4-6,9H,1-3H3.
What are the key properties of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one has a molecular weight of 2364.31 g/mol, XLogP of 39.11, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 159080950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).