3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane

C215H217Cl2F16N21O29S9 — CID 159604167

IUPAC3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane
SMILESC.C.C.COc1nn(-c2ccc(C)cc2)cc1CCC(=O)C1CCC1(C)S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)cc1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1cccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)c1.Cc1ncc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1
InChIInChI=1S/C25H27FN2O4S.C24H22F2N2O3S.2C24H23FN2O3S.2C23H22ClFN2O3S.2C23H21F4N3O3S.C23H24FN3O4S.3CH4/c1-17-4-9-20(10-5-17)28-16-18(24(27-28)32-3)6-13-23(29)22-14-15-25(22,2)33(30,31)21-11-7-19(26)8-12-21;1-15-27-13-17(14-28-15)21-12-16(2-9-22(21)26)3-10-23(29)20-8-11-24(20)32(30,31)19-6-4-18(25)5-7-19;1-16-2-4-17(5-3-16)22-14-19(26-15-27-22)8-12-23(28)21-11-13-24(21)31(29,30)20-9-6-18(25)7-10-20;1-16-3-2-4-17(13-16)22-14-19(26-15-27-22)7-11-23(28)21-10-12-24(21)31(29,30)20-8-5-18(25)6-9-20;2*1-15-2-7-18(8-3-15)27-14-16(23(24)26-27)4-12-21(28)20-11-13-22(20)31(29,30)19-9-5-17(25)6-10-19;2*1-14-2-6-17(12-28-14)30-13-15(22(29-30)23(25,26)27)3-10-20(31)19-9-11-21(19)34(32,33)18-7-4-16(24)5-8-18;1-15-3-7-18(13-25-15)27-14-16(23(26-27)31-2)4-11-21(28)20-10-12-22(20)32(29,30)19-8-5-17(24)6-9-19;;;/h4-5,7-12,16,22H,6,13-15H2,1-3H3;2,4-7,9,12-14,20,24H,3,8,10-11H2,1H3;2-7,9-10,14-15,21,24H,8,11-13H2,1H3;2-6,8-9,13-15,21,24H,7,10-12H2,1H3;2*2-3,5-10,14,20,22H,4,11-13H2,1H3;2*2,4-8,12-13,19,21H,3,9-11H2,1H3;3,5-9,13-14,20,22H,4,10-12H2,1-2H3;3*1H4/t;20-,24-;2*21-,24-;20-,22-;;19-,21-;;20-,22-;;;/m.0000.0.0.../s1
InChIKeyMLWBRDXZMBFRFZ-GKEGBYPCSA-N
MW4222.70 g/mol
LogP41.46
Rot. Bonds65

About 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane

3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane (PubChem CID 159604167) has the molecular formula C215H217Cl2F16N21O29S9 and a molecular weight of 4222.70 g/mol. Its IUPAC name is 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane.

Molecular Properties

Compound Name3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane
PubChem CID159604167
Molecular FormulaC215H217Cl2F16N21O29S9
Molecular Weight4222.70 g/mol
Exact Mass4218.28
IUPAC Name3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane
SMILESC.C.C.COc1nn(-c2ccc(C)cc2)cc1CCC(=O)C1CCC1(C)S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)cc1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1cccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)c1.Cc1ncc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1
InChIInChI=1S/C25H27FN2O4S.C24H22F2N2O3S.2C24H23FN2O3S.2C23H22ClFN2O3S.2C23H21F4N3O3S.C23H24FN3O4S.3CH4/c1-17-4-9-20(10-5-17)28-16-18(24(27-28)32-3)6-13-23(29)22-14-15-25(22,2)33(30,31)21-11-7-19(26)8-12-21;1-15-27-13-17(14-28-15)21-12-16(2-9-22(21)26)3-10-23(29)20-8-11-24(20)32(30,31)19-6-4-18(25)5-7-19;1-16-2-4-17(5-3-16)22-14-19(26-15-27-22)8-12-23(28)21-11-13-24(21)31(29,30)20-9-6-18(25)7-10-20;1-16-3-2-4-17(13-16)22-14-19(26-15-27-22)7-11-23(28)21-10-12-24(21)31(29,30)20-8-5-18(25)6-9-20;2*1-15-2-7-18(8-3-15)27-14-16(23(24)26-27)4-12-21(28)20-11-13-22(20)31(29,30)19-9-5-17(25)6-10-19;2*1-14-2-6-17(12-28-14)30-13-15(22(29-30)23(25,26)27)3-10-20(31)19-9-11-21(19)34(32,33)18-7-4-16(24)5-8-18;1-15-3-7-18(13-25-15)27-14-16(23(26-27)31-2)4-11-21(28)20-10-12-22(20)32(29,30)19-8-5-17(24)6-9-19;;;/h4-5,7-12,16,22H,6,13-15H2,1-3H3;2,4-7,9,12-14,20,24H,3,8,10-11H2,1H3;2-7,9-10,14-15,21,24H,8,11-13H2,1H3;2-6,8-9,13-15,21,24H,7,10-12H2,1H3;2*2-3,5-10,14,20,22H,4,11-13H2,1H3;2*2,4-8,12-13,19,21H,3,9-11H2,1H3;3,5-9,13-14,20,22H,4,10-12H2,1-2H3;3*1H4/t;20-,24-;2*21-,24-;20-,22-;;19-,21-;;20-,22-;;;/m.0000.0.0.../s1
InChIKeyMLWBRDXZMBFRFZ-GKEGBYPCSA-N
XLogP41.46
TPSA702.28 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds65
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004222.70
LogP ≤ 541.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane?
The IUPAC name of 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane (CID 159604167) is 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane.
What is the SMILES notation for 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane?
The canonical SMILES for 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane is C.C.C.COc1nn(-c2ccc(C)cc2)cc1CCC(=O)C1CCC1(C)S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.Cc1ccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)cc1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.Cc1cccc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ncn2)c1.Cc1ncc(-c2cc(CCC(=O)[C@@H]3CC[C@@H]3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1.
What is the InChIKey of 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane?
The InChIKey is MLWBRDXZMBFRFZ-GKEGBYPCSA-N. The full InChI is InChI=1S/C25H27FN2O4S.C24H22F2N2O3S.2C24H23FN2O3S.2C23H22ClFN2O3S.2C23H21F4N3O3S.C23H24FN3O4S.3CH4/c1-17-4-9-20(10-5-17)28-16-18(24(27-28)32-3)6-13-23(29)22-14-15-25(22,2)33(30,31)21-11-7-19(26)8-12-21;1-15-27-13-17(14-28-15)21-12-16(2-9-22(21)26)3-10-23(29)20-8-11-24(20)32(30,31)19-6-4-18(25)5-7-19;1-16-2-4-17(5-3-16)22-14-19(26-15-27-22)8-12-23(28)21-11-13-24(21)31(29,30)20-9-6-18(25)7-10-20;1-16-3-2-4-17(13-16)22-14-19(26-15-27-22)7-11-23(28)21-10-12-24(21)31(29,30)20-8-5-18(25)6-9-20;2*1-15-2-7-18(8-3-15)27-14-16(23(24)26-27)4-12-21(28)20-11-13-22(20)31(29,30)19-9-5-17(25)6-10-19;2*1-14-2-6-17(12-28-14)30-13-15(22(29-30)23(25,26)27)3-10-20(31)19-9-11-21(19)34(32,33)18-7-4-16(24)5-8-18;1-15-3-7-18(13-25-15)27-14-16(23(26-27)31-2)4-11-21(28)20-10-12-22(20)32(29,30)19-8-5-17(24)6-9-19;;;/h4-5,7-12,16,22H,6,13-15H2,1-3H3;2,4-7,9,12-14,20,24H,3,8,10-11H2,1H3;2-7,9-10,14-15,21,24H,8,11-13H2,1H3;2-6,8-9,13-15,21,24H,7,10-12H2,1H3;2*2-3,5-10,14,20,22H,4,11-13H2,1H3;2*2,4-8,12-13,19,21H,3,9-11H2,1H3;3,5-9,13-14,20,22H,4,10-12H2,1-2H3;3*1H4/t;20-,24-;2*21-,24-;20-,22-;;19-,21-;;20-,22-;;;/m.0000.0.0.../s1.
What are the key properties of 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane?
3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane has a molecular weight of 4222.70 g/mol, XLogP of 41.46, 65 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-1-(4-methylphenyl)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)sulfonylcyclobutyl]propan-1-one;3-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(3-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[6-(4-methylphenyl)pyrimidin-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclobutyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-2-methylcyclobutyl]-3-[3-methoxy-1-(4-methylphenyl)pyrazol-4-yl]propan-1-one;methane is sourced from PubChem (CID 159604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).