5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

C159H194BrF28N25O9S — CID 159920073

IUPAC5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESC=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(C)C1=NCc2ccccc21.CC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1
InChIInChI=1S/C13H17F3N2.C12H14BrN.C12H13F5N2.C12H14F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H15F3N2O.C11H13F3N2O.C11H13N.C10H12N2.C8H11F3N2O/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-5(2)18-10-8(9(17-18)12(14,15)16)6-4-7(6)11(10,3)13;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;2*1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h6,8-9H,3-5,7H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3
InChIKeyNYHBFNYDZAXLGL-UHFFFAOYSA-N
MW3243.38 g/mol
LogP43.36
Rot. Bonds21

About 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 159920073) has the molecular formula C159H194BrF28N25O9S and a molecular weight of 3243.38 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID159920073
Molecular FormulaC159H194BrF28N25O9S
Molecular Weight3243.38 g/mol
Exact Mass3240.39
IUPAC Name5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESC=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(C)C1=NCc2ccccc21.CC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1
InChIInChI=1S/C13H17F3N2.C12H14BrN.C12H13F5N2.C12H14F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H15F3N2O.C11H13F3N2O.C11H13N.C10H12N2.C8H11F3N2O/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-5(2)18-10-8(9(17-18)12(14,15)16)6-4-7(6)11(10,3)13;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;2*1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h6,8-9H,3-5,7H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3
InChIKeyNYHBFNYDZAXLGL-UHFFFAOYSA-N
XLogP43.36
TPSA381.35 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003243.38
LogP ≤ 543.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol with MolForge

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Related Compounds

CID 157091199
CID 157091199
CID 157995981
CID 157995981
CID 158270493
CID 158270493
5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 158331518
CID 158624791
CID 158624791
5-bromo-3-propan-2-yl-1H-indole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5,5-difluoro-7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-2H-indazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 159854633
CID 160204979
CID 160204979
CID 161907495
CID 161907495
5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;1-propan-2-ylindole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 162013608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (CID 159920073) is 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is C=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(C)C1=NCc2ccccc21.CC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.
What is the InChIKey of 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is NYHBFNYDZAXLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.C12H14BrN.C12H13F5N2.C12H14F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H15F3N2O.C11H13F3N2O.C11H13N.C10H12N2.C8H11F3N2O/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-5(2)18-10-8(9(17-18)12(14,15)16)6-4-7(6)11(10,3)13;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;2*1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h6,8-9H,3-5,7H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3.
What are the key properties of 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 3243.38 g/mol, XLogP of 43.36, 21 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 159920073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).