3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one

C167H164Cl2F20N20O23S7 — CID 158594343

IUPAC3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one
SMILESCC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.CC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.COc1nn(-c2ccc(C(C)(F)F)cc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(C)(F)F)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ncc(-n2cc(CC(=O)C[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1
InChIInChI=1S/C25H26ClFN2O3S.C25H23F5N2O3S.C24H22ClF3N2O3S.C24H24F3N3O4S.C24H26FN3O3S.C23H23F3N4O4S.C22H20F4N4O3S/c1-17-5-10-20(11-6-17)29-16-18(24(26)28-29)7-14-22(30)25(2)15-3-4-23(25)33(31,32)21-12-8-19(27)9-13-21;1-25(29,30)16-3-7-18(8-4-16)32-14-15(23(31-32)24(27)28)2-12-21(33)20-11-13-22(20)36(34,35)19-9-5-17(26)6-10-19;1-24(27,28)16-3-7-18(8-4-16)30-14-15(23(25)29-30)2-12-21(31)20-11-13-22(20)34(32,33)19-9-5-17(26)6-10-19;1-24(26,27)16-3-7-18(8-4-16)30-14-15(23(29-30)34-2)13-22(31)28-20-11-12-21(20)35(32,33)19-9-5-17(25)6-10-19;1-16-6-10-20(14-26-16)28-15-18(17(2)27-28)7-13-23(29)22-4-3-5-24(22)32(30,31)21-11-8-19(25)9-12-21;1-23(25,26)20-10-5-16(12-27-20)30-13-14(22(29-30)34-2)11-21(31)28-18-8-9-19(18)35(32,33)17-6-3-15(24)4-7-17;1-13-27-10-17(11-28-13)30-12-15(21(29-30)22(24,25)26)9-18(31)8-14-2-7-20(14)34(32,33)19-5-3-16(23)4-6-19/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;3-10,14,20,22,24H,2,11-13H2,1H3;3-10,14,20,22H,2,11-13H2,1H3;3-10,14,20-21H,11-13H2,1-2H3,(H,28,31);6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;3-7,10,12-13,18-19H,8-9,11H2,1-2H3,(H,28,31);3-6,10-12,14,20H,2,7-9H2,1H3/t;2*20-,22-;20-,21+;22-,24-;18-,19+;14-,20-/m.001010/s1
InChIKeyHUVKHEOTCSXTAC-ZNVXVTIYSA-N
MW3494.60 g/mol
LogP31.89
Rot. Bonds54

About 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one

3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one (PubChem CID 158594343) has the molecular formula C167H164Cl2F20N20O23S7 and a molecular weight of 3494.60 g/mol. Its IUPAC name is 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one
PubChem CID158594343
Molecular FormulaC167H164Cl2F20N20O23S7
Molecular Weight3494.60 g/mol
Exact Mass3490.94
IUPAC Name3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one
SMILESCC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.CC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.COc1nn(-c2ccc(C(C)(F)F)cc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(C)(F)F)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ncc(-n2cc(CC(=O)C[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1
InChIInChI=1S/C25H26ClFN2O3S.C25H23F5N2O3S.C24H22ClF3N2O3S.C24H24F3N3O4S.C24H26FN3O3S.C23H23F3N4O4S.C22H20F4N4O3S/c1-17-5-10-20(11-6-17)29-16-18(24(26)28-29)7-14-22(30)25(2)15-3-4-23(25)33(31,32)21-12-8-19(27)9-13-21;1-25(29,30)16-3-7-18(8-4-16)32-14-15(23(31-32)24(27)28)2-12-21(33)20-11-13-22(20)36(34,35)19-9-5-17(26)6-10-19;1-24(27,28)16-3-7-18(8-4-16)30-14-15(23(25)29-30)2-12-21(31)20-11-13-22(20)34(32,33)19-9-5-17(26)6-10-19;1-24(26,27)16-3-7-18(8-4-16)30-14-15(23(29-30)34-2)13-22(31)28-20-11-12-21(20)35(32,33)19-9-5-17(25)6-10-19;1-16-6-10-20(14-26-16)28-15-18(17(2)27-28)7-13-23(29)22-4-3-5-24(22)32(30,31)21-11-8-19(25)9-12-21;1-23(25,26)20-10-5-16(12-27-20)30-13-14(22(29-30)34-2)11-21(31)28-18-8-9-19(18)35(32,33)17-6-3-15(24)4-7-17;1-13-27-10-17(11-28-13)30-12-15(21(29-30)22(24,25)26)9-18(31)8-14-2-7-20(14)34(32,33)19-5-3-16(23)4-6-19/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;3-10,14,20,22,24H,2,11-13H2,1H3;3-10,14,20,22H,2,11-13H2,1H3;3-10,14,20-21H,11-13H2,1-2H3,(H,28,31);6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;3-7,10,12-13,18-19H,8-9,11H2,1-2H3,(H,28,31);3-6,10-12,14,20H,2,7-9H2,1H3/t;2*20-,22-;20-,21+;22-,24-;18-,19+;14-,20-/m.001010/s1
InChIKeyHUVKHEOTCSXTAC-ZNVXVTIYSA-N
XLogP31.89
TPSA577.29 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds54
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003494.60
LogP ≤ 531.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one (CID 158594343) is 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one is CC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)F)n2)cc1.CC(F)(F)c1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.COc1nn(-c2ccc(C(C)(F)F)cc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(C)(F)F)nc2)cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-n2cc(CCC(=O)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ncc(-n2cc(CC(=O)C[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.
What is the InChIKey of 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one?
The InChIKey is HUVKHEOTCSXTAC-ZNVXVTIYSA-N. The full InChI is InChI=1S/C25H26ClFN2O3S.C25H23F5N2O3S.C24H22ClF3N2O3S.C24H24F3N3O4S.C24H26FN3O3S.C23H23F3N4O4S.C22H20F4N4O3S/c1-17-5-10-20(11-6-17)29-16-18(24(26)28-29)7-14-22(30)25(2)15-3-4-23(25)33(31,32)21-12-8-19(27)9-13-21;1-25(29,30)16-3-7-18(8-4-16)32-14-15(23(31-32)24(27)28)2-12-21(33)20-11-13-22(20)36(34,35)19-9-5-17(26)6-10-19;1-24(27,28)16-3-7-18(8-4-16)30-14-15(23(25)29-30)2-12-21(31)20-11-13-22(20)34(32,33)19-9-5-17(26)6-10-19;1-24(26,27)16-3-7-18(8-4-16)30-14-15(23(29-30)34-2)13-22(31)28-20-11-12-21(20)35(32,33)19-9-5-17(25)6-10-19;1-16-6-10-20(14-26-16)28-15-18(17(2)27-28)7-13-23(29)22-4-3-5-24(22)32(30,31)21-11-8-19(25)9-12-21;1-23(25,26)20-10-5-16(12-27-20)30-13-14(22(29-30)34-2)11-21(31)28-18-8-9-19(18)35(32,33)17-6-3-15(24)4-7-17;1-13-27-10-17(11-28-13)30-12-15(21(29-30)22(24,25)26)9-18(31)8-14-2-7-20(14)34(32,33)19-5-3-16(23)4-6-19/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;3-10,14,20,22,24H,2,11-13H2,1H3;3-10,14,20,22H,2,11-13H2,1H3;3-10,14,20-21H,11-13H2,1-2H3,(H,28,31);6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;3-7,10,12-13,18-19H,8-9,11H2,1-2H3,(H,28,31);3-6,10-12,14,20H,2,7-9H2,1H3/t;2*20-,22-;20-,21+;22-,24-;18-,19+;14-,20-/m.001010/s1.
What are the key properties of 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one?
3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one has a molecular weight of 3494.60 g/mol, XLogP of 31.89, 54 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[1-[4-(1,1-difluoroethyl)phenyl]-3-(difluoromethyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;2-[1-[4-(1,1-difluoroethyl)phenyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;2-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]-3-methoxypyrazol-4-yl]-N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]acetamide;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-4-yl]propan-2-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 158594343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).