4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

C164H219BrF33N27O2 — CID 158325293

IUPAC4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC.C.C.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)n1c(C(C)(F)F)nc2ccccc21.CC(C)n1cc(Br)c(C#N)n1.CC(C)n1cc(C#CC(C)(C)C)c(C(F)(F)F)n1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1cc2c([nH]c1=O)C(C(C)C)=CC2
InChIInChI=1S/C14H17N.C13H19F3N2.C13H17F3N2.C13H20F2N2.2C12H15F3N2.C12H17F3N2.C12H14F2N2.C12H15NO.C11H11F3N2O.2C11H15F3N2.C8H9F5N2.C7H8BrN3.3CH4/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)18-11-9(6-5-7-12(11,3)4)10(17-18)13(14,15)16;1-9(2)18-8-10(6-7-12(3,4)5)11(17-18)13(14,15)16;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-8(2)16-10-7-5-4-6-9(10)15-11(16)12(3,13)14;1-7(2)10-5-4-9-6-8(3)12(14)13-11(9)10;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13;1-5(2)11-4-6(8)7(3-9)10-11;;;/h5-10H,4H2,1-3H3;8H,5-7H2,1-4H3;8-9H,1-5H3;8,12H,5-7H2,1-4H3;6-7,9H,3-5H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,13,14);4-6H,3H2,1-2H3;2*7H,3-6H2,1-2H3;3-4,7H,1-2H3;4-5H,1-2H3;3*1H4
InChIKeyGPIGVPKTVHNVFH-UHFFFAOYSA-N
MW3307.58 g/mol
LogP50.27
Rot. Bonds20

About 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (PubChem CID 158325293) has the molecular formula C164H219BrF33N27O2 and a molecular weight of 3307.58 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).

Molecular Properties

Compound Name4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
PubChem CID158325293
Molecular FormulaC164H219BrF33N27O2
Molecular Weight3307.58 g/mol
Exact Mass3304.65
IUPAC Name4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC.C.C.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)n1c(C(C)(F)F)nc2ccccc21.CC(C)n1cc(Br)c(C#N)n1.CC(C)n1cc(C#CC(C)(C)C)c(C(F)(F)F)n1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1cc2c([nH]c1=O)C(C(C)C)=CC2
InChIInChI=1S/C14H17N.C13H19F3N2.C13H17F3N2.C13H20F2N2.2C12H15F3N2.C12H17F3N2.C12H14F2N2.C12H15NO.C11H11F3N2O.2C11H15F3N2.C8H9F5N2.C7H8BrN3.3CH4/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)18-11-9(6-5-7-12(11,3)4)10(17-18)13(14,15)16;1-9(2)18-8-10(6-7-12(3,4)5)11(17-18)13(14,15)16;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-8(2)16-10-7-5-4-6-9(10)15-11(16)12(3,13)14;1-7(2)10-5-4-9-6-8(3)12(14)13-11(9)10;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13;1-5(2)11-4-6(8)7(3-9)10-11;;;/h5-10H,4H2,1-3H3;8H,5-7H2,1-4H3;8-9H,1-5H3;8,12H,5-7H2,1-4H3;6-7,9H,3-5H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,13,14);4-6H,3H2,1-2H3;2*7H,3-6H2,1-2H3;3-4,7H,1-2H3;4-5H,1-2H3;3*1H4
InChIKeyGPIGVPKTVHNVFH-UHFFFAOYSA-N
XLogP50.27
TPSA290.80 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003307.58
LogP ≤ 550.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The IUPAC name of 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (CID 158325293) is 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).
What is the SMILES notation for 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The canonical SMILES for 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is C.C.C.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)n1c(C(C)(F)F)nc2ccccc21.CC(C)n1cc(Br)c(C#N)n1.CC(C)n1cc(C#CC(C)(C)C)c(C(F)(F)F)n1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1cc2c([nH]c1=O)C(C(C)C)=CC2.
What is the InChIKey of 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The InChIKey is GPIGVPKTVHNVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H19F3N2.C13H17F3N2.C13H20F2N2.2C12H15F3N2.C12H17F3N2.C12H14F2N2.C12H15NO.C11H11F3N2O.2C11H15F3N2.C8H9F5N2.C7H8BrN3.3CH4/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)18-11-9(6-5-7-12(11,3)4)10(17-18)13(14,15)16;1-9(2)18-8-10(6-7-12(3,4)5)11(17-18)13(14,15)16;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-8(2)16-10-7-5-4-6-9(10)15-11(16)12(3,13)14;1-7(2)10-5-4-9-6-8(3)12(14)13-11(9)10;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13;1-5(2)11-4-6(8)7(3-9)10-11;;;/h5-10H,4H2,1-3H3;8H,5-7H2,1-4H3;8-9H,1-5H3;8,12H,5-7H2,1-4H3;6-7,9H,3-5H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;7-8H,4-6H2,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,13,14);4-6H,3H2,1-2H3;2*7H,3-6H2,1-2H3;3-4,7H,1-2H3;4-5H,1-2H3;3*1H4.
What are the key properties of 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) has a molecular weight of 3307.58 g/mol, XLogP of 50.27, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylpyrazole-3-carbonitrile;4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(1,1-difluoroethyl)-1-propan-2-ylbenzimidazole;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(3,3-dimethylbut-1-ynyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7,7-dimethyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;methane;4-methyl-2-methylidene-1-propan-2-ylquinoline;3-methyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is sourced from PubChem (CID 158325293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).