3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane

C219H232Cl4F12N24O30S9 — CID 158695283

IUPAC3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane
SMILESC.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CCC[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)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCCC3S(=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(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1
InChIInChI=1S/C25H26ClFN2O3S.C25H28FN3O4S.C24H25ClFN3O3S.2C24H24ClFN2O3S.C24H23F4N3O3S.2C24H26FN3O4S.C24H26FN3O3S.CH4/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;1-17-6-10-20(15-27-17)29-16-18(24(28-29)33-3)7-13-22(30)25(2)14-4-5-23(25)34(31,32)21-11-8-19(26)9-12-21;1-16-5-9-19(14-27-16)29-15-17(23(25)28-29)6-12-21(30)24(2)13-3-4-22(24)33(31,32)20-10-7-18(26)8-11-20;2*1-16-5-10-19(11-6-16)28-15-17(24(25)27-28)7-14-22(29)21-3-2-4-23(21)32(30,31)20-12-8-18(26)9-13-20;1-15-5-9-18(13-29-15)31-14-16(23(30-31)24(26,27)28)6-12-21(32)20-3-2-4-22(20)35(33,34)19-10-7-17(25)8-11-19;2*1-16-6-10-19(14-26-16)28-15-17(24(27-28)32-2)7-13-22(29)21-4-3-5-23(21)33(30,31)20-11-8-18(25)9-12-20;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;/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;6,8-12,15-16,23H,4-5,7,13-14H2,1-3H3;5,7-11,14-15,22H,3-4,6,12-13H2,1-2H3;2*5-6,8-13,15,21,23H,2-4,7,14H2,1H3;5,7-11,13-14,20,22H,2-4,6,12H2,1H3;2*6,8-12,14-15,21,23H,3-5,7,13H2,1-2H3;6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;1H4/t;;;21-,23-;;20-,22-;21-,23-;;22-,24-;/m...0.00.0./s1
InChIKeyIGWAABXHNQWGPR-UWTMQEEXSA-N
MW4338.79 g/mol
LogP42.32
Rot. Bonds66

About 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane

3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane (PubChem CID 158695283) has the molecular formula C219H232Cl4F12N24O30S9 and a molecular weight of 4338.79 g/mol. Its IUPAC name is 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)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)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane
PubChem CID158695283
Molecular FormulaC219H232Cl4F12N24O30S9
Molecular Weight4338.79 g/mol
Exact Mass4333.34
IUPAC Name3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane
SMILESC.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CCC[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)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCCC3S(=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(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1
InChIInChI=1S/C25H26ClFN2O3S.C25H28FN3O4S.C24H25ClFN3O3S.2C24H24ClFN2O3S.C24H23F4N3O3S.2C24H26FN3O4S.C24H26FN3O3S.CH4/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;1-17-6-10-20(15-27-17)29-16-18(24(28-29)33-3)7-13-22(30)25(2)14-4-5-23(25)34(31,32)21-11-8-19(26)9-12-21;1-16-5-9-19(14-27-16)29-15-17(23(25)28-29)6-12-21(30)24(2)13-3-4-22(24)33(31,32)20-10-7-18(26)8-11-20;2*1-16-5-10-19(11-6-16)28-15-17(24(25)27-28)7-14-22(29)21-3-2-4-23(21)32(30,31)20-12-8-18(26)9-13-20;1-15-5-9-18(13-29-15)31-14-16(23(30-31)24(26,27)28)6-12-21(32)20-3-2-4-22(20)35(33,34)19-10-7-17(25)8-11-19;2*1-16-6-10-19(14-26-16)28-15-17(24(27-28)32-2)7-13-22(29)21-4-3-5-23(21)33(30,31)20-11-8-18(25)9-12-20;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;/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;6,8-12,15-16,23H,4-5,7,13-14H2,1-3H3;5,7-11,14-15,22H,3-4,6,12-13H2,1-2H3;2*5-6,8-13,15,21,23H,2-4,7,14H2,1H3;5,7-11,13-14,20,22H,2-4,6,12H2,1H3;2*6,8-12,14-15,21,23H,3-5,7,13H2,1-2H3;6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;1H4/t;;;21-,23-;;20-,22-;21-,23-;;22-,24-;/m...0.00.0./s1
InChIKeyIGWAABXHNQWGPR-UWTMQEEXSA-N
XLogP42.32
TPSA726.30 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds66
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004338.79
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)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)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane (CID 158695283) is 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)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)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)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)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane is C.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)C1CCCC1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C)nc2)cc1CCC(=O)[C@@H]1CCC[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)C3(C)CCCC3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cn1.Cc1ccc(-n2cc(CCC(=O)C3CCCC3S(=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(F)(F)F)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(C)n2)cn1.Cc1ccc(-n2cc(CCC(=O)[C@@H]3CCC[C@@H]3S(=O)(=O)c3ccc(F)cc3)c(Cl)n2)cc1.
What is the InChIKey of 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane?
The InChIKey is IGWAABXHNQWGPR-UWTMQEEXSA-N. The full InChI is InChI=1S/C25H26ClFN2O3S.C25H28FN3O4S.C24H25ClFN3O3S.2C24H24ClFN2O3S.C24H23F4N3O3S.2C24H26FN3O4S.C24H26FN3O3S.CH4/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;1-17-6-10-20(15-27-17)29-16-18(24(28-29)33-3)7-13-22(30)25(2)14-4-5-23(25)34(31,32)21-11-8-19(26)9-12-21;1-16-5-9-19(14-27-16)29-15-17(23(25)28-29)6-12-21(30)24(2)13-3-4-22(24)33(31,32)20-10-7-18(26)8-11-20;2*1-16-5-10-19(11-6-16)28-15-17(24(25)27-28)7-14-22(29)21-3-2-4-23(21)32(30,31)20-12-8-18(26)9-13-20;1-15-5-9-18(13-29-15)31-14-16(23(30-31)24(26,27)28)6-12-21(32)20-3-2-4-22(20)35(33,34)19-10-7-17(25)8-11-19;2*1-16-6-10-19(14-26-16)28-15-17(24(27-28)32-2)7-13-22(29)21-4-3-5-23(21)33(30,31)20-11-8-18(25)9-12-20;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;/h5-6,8-13,16,23H,3-4,7,14-15H2,1-2H3;6,8-12,15-16,23H,4-5,7,13-14H2,1-3H3;5,7-11,14-15,22H,3-4,6,12-13H2,1-2H3;2*5-6,8-13,15,21,23H,2-4,7,14H2,1H3;5,7-11,13-14,20,22H,2-4,6,12H2,1H3;2*6,8-12,14-15,21,23H,3-5,7,13H2,1-2H3;6,8-12,14-15,22,24H,3-5,7,13H2,1-2H3;1H4/t;;;21-,23-;;20-,22-;21-,23-;;22-,24-;/m...0.00.0./s1.
What are the key properties of 3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane?
3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane has a molecular weight of 4338.79 g/mol, XLogP of 42.32, 66 rotatable bonds, 0 hydrogen bond donors, and 54 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)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonylcyclopentyl]propan-1-one;3-[3-chloro-1-(4-methylphenyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;3-[3-chloro-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[3-methyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;1-[(1S,2S)-2-(4-fluorophenyl)sulfonylcyclopentyl]-3-[1-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one;1-[2-(4-fluorophenyl)sulfonyl-1-methylcyclopentyl]-3-[3-methoxy-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]propan-1-one;methane is sourced from PubChem (CID 158695283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).