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

C162H216F27N29 — CID 159436189

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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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.C=C1Nc2cc(C)ccc2C1C(C)C.C=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(C)(F)F)nn1C(C)C.CC(C)n1nc(C#N)c2c1C(C)(F)C1CC21.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(F)(F)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(F)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(F)c1cc(-c2ccccc2)nn1C(C)C.CC1c2nn(C(C)C)c(C(F)F)c2C2CC12
InChIInChI=1S/C14H17FN2.C13H17N.C12H16F2N2.C12H20F2N2.C12H14FN3.C12H14FN.C11H14F4N2.C11H11F3N2.C11H17F3N2.C11H14F2N2.C11H18F2N2.C11H13N3.C10H12F4N2.C10H15F2N3.CH4/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)13-10(4)14-12-7-9(3)5-6-11(12)13;1-5(2)16-11(12(13)14)9-8-4-7(8)6(3)10(9)15-16;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-6(2)16-11-10(9(5-14)15-16)7-4-8(7)12(11,3)13;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;1-7(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;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-5(2)16-7-4-10(13,14)3-6(7)8(15-16)9(11)12;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12;/h4-11H,1-3H3;5-8,13-14H,4H2,1-3H3;5-8,12H,4H2,1-3H3;7-8H,1-6H3;6-8H,4H2,1-3H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;5-7,11H,3-4H2,1-2H3;6-8H,1-5H3;6-8H,3-4H2,1-2H3;5,9H,3-4H2,1-2H3;6,13H,4-5H2,1-3H3;1H4
InChIKeyLRPJYLZNSBHOQO-UHFFFAOYSA-N
MW3082.66 g/mol
LogP46.90
Rot. Bonds24

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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 159436189) has the molecular formula C162H216F27N29 and a molecular weight of 3082.66 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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 CID159436189
Molecular FormulaC162H216F27N29
Molecular Weight3082.66 g/mol
Exact Mass3080.74
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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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.C=C1Nc2cc(C)ccc2C1C(C)C.C=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(C)(F)F)nn1C(C)C.CC(C)n1nc(C#N)c2c1C(C)(F)C1CC21.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(F)(F)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(F)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(F)c1cc(-c2ccccc2)nn1C(C)C.CC1c2nn(C(C)C)c(C(F)F)c2C2CC12
InChIInChI=1S/C14H17FN2.C13H17N.C12H16F2N2.C12H20F2N2.C12H14FN3.C12H14FN.C11H14F4N2.C11H11F3N2.C11H17F3N2.C11H14F2N2.C11H18F2N2.C11H13N3.C10H12F4N2.C10H15F2N3.CH4/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)13-10(4)14-12-7-9(3)5-6-11(12)13;1-5(2)16-11(12(13)14)9-8-4-7(8)6(3)10(9)15-16;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-6(2)16-11-10(9(5-14)15-16)7-4-8(7)12(11,3)13;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;1-7(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;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-5(2)16-7-4-10(13,14)3-6(7)8(15-16)9(11)12;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12;/h4-11H,1-3H3;5-8,13-14H,4H2,1-3H3;5-8,12H,4H2,1-3H3;7-8H,1-6H3;6-8H,4H2,1-3H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;5-7,11H,3-4H2,1-2H3;6-8H,1-5H3;6-8H,3-4H2,1-2H3;5,9H,3-4H2,1-2H3;6,13H,4-5H2,1-3H3;1H4
InChIKeyLRPJYLZNSBHOQO-UHFFFAOYSA-N
XLogP46.90
TPSA297.51 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003082.66
LogP ≤ 546.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 159436189) 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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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.C=C1Nc2cc(C)ccc2C1C(C)C.C=C1Nc2cc(F)ccc2C1C(C)C.CC(C)c1cc(C(C)(F)F)nn1C(C)C.CC(C)n1nc(C#N)c2c1C(C)(F)C1CC21.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(F)(F)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(F)(F)C2.CC(C)n1nc(C(F)F)c2c1CC1CC21.CC(F)c1cc(-c2ccccc2)nn1C(C)C.CC1c2nn(C(C)C)c(C(F)F)c2C2CC12.
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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 LRPJYLZNSBHOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.C13H17N.C12H16F2N2.C12H20F2N2.C12H14FN3.C12H14FN.C11H14F4N2.C11H11F3N2.C11H17F3N2.C11H14F2N2.C11H18F2N2.C11H13N3.C10H12F4N2.C10H15F2N3.CH4/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12;1-8(2)13-10(4)14-12-7-9(3)5-6-11(12)13;1-5(2)16-11(12(13)14)9-8-4-7(8)6(3)10(9)15-16;1-8(2)16-10(11(3,4)5)7-9(15-16)12(6,13)14;1-6(2)16-11-10(9(5-14)15-16)7-4-8(7)12(11,3)13;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;1-7(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;1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13;1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4;1-6(2)14-10-4-7-3-8(7)11(10)9(5-12)13-14;1-5(2)16-7-4-10(13,14)3-6(7)8(15-16)9(11)12;1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12;/h4-11H,1-3H3;5-8,13-14H,4H2,1-3H3;5-8,12H,4H2,1-3H3;7-8H,1-6H3;6-8H,4H2,1-3H3;4-7,12,14H,3H2,1-2H3;6H,4-5H2,1-3H3;3-7H,1-2H3;6-7H,1-5H3;5-7,11H,3-4H2,1-2H3;6-8H,1-5H3;6-8H,3-4H2,1-2H3;5,9H,3-4H2,1-2H3;6,13H,4-5H2,1-3H3;1H4.
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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 3082.66 g/mol, XLogP of 46.90, 24 rotatable bonds, 3 hydrogen bond donors, and 29 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)-1,5-di(propan-2-yl)pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;3-(difluoromethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole;9-(difluoromethyl)-5-methyl-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole;6-fluoro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;methane;6-methyl-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 159436189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).