4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C100H127BrF17N13 — CID 159280350

IUPAC4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESC=C1Nc2cc(C)cc(C)c2C1C(C)C.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C.CC(C)n1nc(C(F)F)c2c1C(C)(F)C1CC21.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C15H21F3N2.C15H15N.C14H19N.C12H15F3N2.C12H17F3N2.C12H12F3N.C11H16F2N2.C9H12BrF3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-8(2)13-11(5)15-12-7-9(3)6-10(4)14(12)13;1-5(2)17-10-8(9(16-17)11(13)14)6-4-7(6)12(10,3)15;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;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h8-9H,6-7H2,1-5H3;3-11H,1-2H3;6-8,13,15H,5H2,1-4H3;5-7,11H,4H2,1-3H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;6-8H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyKYVJKTUJUJBTKN-UHFFFAOYSA-N
MW1914.08 g/mol
LogP32.21
Rot. Bonds12

About 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 159280350) has the molecular formula C100H127BrF17N13 and a molecular weight of 1914.08 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID159280350
Molecular FormulaC100H127BrF17N13
Molecular Weight1914.08 g/mol
Exact Mass1911.92
IUPAC Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESC=C1Nc2cc(C)cc(C)c2C1C(C)C.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C.CC(C)n1nc(C(F)F)c2c1C(C)(F)C1CC21.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C15H21F3N2.C15H15N.C14H19N.C12H15F3N2.C12H17F3N2.C12H12F3N.C11H16F2N2.C9H12BrF3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-8(2)13-11(5)15-12-7-9(3)6-10(4)14(12)13;1-5(2)17-10-8(9(16-17)11(13)14)6-4-7(6)12(10,3)15;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;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h8-9H,6-7H2,1-5H3;3-11H,1-2H3;6-8,13,15H,5H2,1-4H3;5-7,11H,4H2,1-3H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;6-8H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyKYVJKTUJUJBTKN-UHFFFAOYSA-N
XLogP32.21
TPSA121.85 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.08
LogP ≤ 532.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene with MolForge

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Related Compounds

4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-(2-methylbutan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 157083964
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-methylpyrazole;deuterium monohydride;5,6-dimethyl-1-propan-2-ylindazole
CID 157488272
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;ethane
CID 158750092
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5,6-dimethyl-1-propan-2-ylindazole
CID 160159292
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 160697412
3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
CID 163490737
3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
CID 164014340
2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 167590676
1-methyl-2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene;4-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydro-1H-indene;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methyl-1H-indole;4-methyl-1H-indole;5-methyl-1H-indole
CID 157484325
7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole
CID 160827563
4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;bis(4-tert-butyl-7-fluoro-1H-indole);6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluoro-1-methylindole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 161160818
3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-5-methyl-1H-indole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 161722205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 159280350) is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is C=C1Nc2cc(C)cc(C)c2C1C(C)C.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2ccc3ccccc3c21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C.CC(C)n1nc(C(F)F)c2c1C(C)(F)C1CC21.CC1CCCc2c(C(F)(F)F)nn(C(C)C)c21.CCc1c(Br)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is KYVJKTUJUJBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C15H15N.C14H19N.C12H15F3N2.C12H17F3N2.C12H12F3N.C11H16F2N2.C9H12BrF3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4;1-11(2)16-10-9-13-8-7-12-5-3-4-6-14(12)15(13)16;1-8(2)13-11(5)15-12-7-9(3)6-10(4)14(12)13;1-5(2)17-10-8(9(16-17)11(13)14)6-4-7(6)12(10,3)15;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;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h8-9H,6-7H2,1-5H3;3-11H,1-2H3;6-8,13,15H,5H2,1-4H3;5-7,11H,4H2,1-3H3;7-8H,4-6H2,1-3H3;3-7,16H,1-2H3;6-8H,4-5H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 1914.08 g/mol, XLogP of 32.21, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 159280350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).