5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole

C157H210F30N30O2 — CID 160553795

IUPAC5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole
SMILESC=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1nc(C#N)c2c1CC1CC21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)c2c1CNC2.CC(C)n1nc(C(C)(F)F)cc1C(C)(C)C.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)F)c2c1CC(C)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2O.CC(F)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17FN2.C12H20F2N2.C12H14FN.C11H14F4N2.C11H15F3N2.C11H11F3N2.C11H17F3N2.C11H17F2N3.2C11H14F2N2O.C11H14F2N2.C11H13N3.C10H15F3N2.C10H15F2N3/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)12;1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13;1-6(2)16-8-5-11(3,14)4-7(8)9(15-16)10(12)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9(11(12,13)14)6-8(15-16)10(3,4)5;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h4-11H,1-3H3;7-8H,1-6H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;7H,5-6H2,1-4H3;4-6,10-11,16H,3H2,1-2H3;6H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;6-8H,3-4H2,1-2H3;5-7H,1-4H3;6,13H,4-5H2,1-3H3
InChIKeyQYKLUTOTAIHMMI-UHFFFAOYSA-N
MW3119.55 g/mol
LogP43.65
Rot. Bonds25

About 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole

5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole (PubChem CID 160553795) has the molecular formula C157H210F30N30O2 and a molecular weight of 3119.55 g/mol. Its IUPAC name is 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole
PubChem CID160553795
Molecular FormulaC157H210F30N30O2
Molecular Weight3119.55 g/mol
Exact Mass3117.68
IUPAC Name5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole
SMILESC=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1nc(C#N)c2c1CC1CC21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)c2c1CNC2.CC(C)n1nc(C(C)(F)F)cc1C(C)(C)C.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)F)c2c1CC(C)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2O.CC(F)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17FN2.C12H20F2N2.C12H14FN.C11H14F4N2.C11H15F3N2.C11H11F3N2.C11H17F3N2.C11H17F2N3.2C11H14F2N2O.C11H14F2N2.C11H13N3.C10H15F3N2.C10H15F2N3/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)12;1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13;1-6(2)16-8-5-11(3,14)4-7(8)9(15-16)10(12)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9(11(12,13)14)6-8(15-16)10(3,4)5;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h4-11H,1-3H3;7-8H,1-6H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;7H,5-6H2,1-4H3;4-6,10-11,16H,3H2,1-2H3;6H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;6-8H,3-4H2,1-2H3;5-7H,1-4H3;6,13H,4-5H2,1-3H3
InChIKeyQYKLUTOTAIHMMI-UHFFFAOYSA-N
XLogP43.65
TPSA320.05 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003119.55
LogP ≤ 543.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole?
The IUPAC name of 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole (CID 160553795) is 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole.
What is the SMILES notation for 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole?
The canonical SMILES for 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole is C=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1nc(C#N)c2c1CC1CC21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)c2c1CNC2.CC(C)n1nc(C(C)(F)F)cc1C(C)(C)C.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)F)c2c1CC(C)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2O.CC(F)c1cc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole?
The InChIKey is QYKLUTOTAIHMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.C12H20F2N2.C12H14FN.C11H14F4N2.C11H15F3N2.C11H11F3N2.C11H17F3N2.C11H17F2N3.2C11H14F2N2O.C11H14F2N2.C11H13N3.C10H15F3N2.C10H15F2N3/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-7(2)12-8(3)14-11-6-9(13)4-5-10(11)12;1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13;1-6(2)16-8-5-11(3,14)4-7(8)9(15-16)10(12)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9(11(12,13)14)6-8(15-16)10(3,4)5;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h4-11H,1-3H3;7-8H,1-6H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;6,10H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;7H,5-6H2,1-4H3;4-6,10-11,16H,3H2,1-2H3;6H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;6-8H,3-4H2,1-2H3;5-7H,1-4H3;6,13H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole?
5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole has a molecular weight of 3119.55 g/mol, XLogP of 43.65, 25 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5-fluoro-5-methyl-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole is sourced from PubChem (CID 160553795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).