4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol

C157H185BrN14O15S7 — CID 167705771

IUPAC4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CCc1ccc(-c2ccc(-c3c(Br)c(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.CCc1ccc(-c2ccc(-c3cc(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(C(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC2CCCCC2)n1
InChIInChI=1S/C24H28N2O2S.C23H27BrN2O2S.C23H28N2O3S.C23H28N2O2S.C22H26N2O2S.2C21H24N2O2S/c1-18-15-24(26(25-18)17-19-7-4-3-5-8-19)21-13-11-20(12-14-21)22-9-6-10-23(16-22)29(2,27)28;1-6-17-7-12-20(13-21(17)29(5,27)28)18-8-10-19(11-9-18)23-22(24)16(4)25-26(23)14-15(2)3;1-16(2)15-25-21(14-22(24-25)23(3,4)26)18-11-9-17(10-12-18)19-7-6-8-20(13-19)29(5,27)28;1-6-18-7-12-21(14-23(18)28(5,26)27)19-8-10-20(11-9-19)22-13-17(4)24-25(22)15-16(2)3;1-16-13-21(24(23-16)15-22(2,3)4)18-11-9-17(10-12-18)19-7-6-8-20(14-19)27(5,25)26;1-15-13-20(23(22-15)21(2,3)4)17-11-9-16(10-12-17)18-7-6-8-19(14-18)26(5,24)25;1-15(2)14-23-21(12-16(3)22-23)18-10-8-17(9-11-18)19-6-5-7-20(13-19)26(4,24)25/h6,9-16,19H,3-5,7-8,17H2,1-2H3;7-13,15H,6,14H2,1-5H3;6-14,16,26H,15H2,1-5H3;7-14,16H,6,15H2,1-5H3;6-14H,15H2,1-5H3;6-14H,1-5H3;5-13,15H,14H2,1-4H3
InChIKeyZBSBVACRPMDFQC-UHFFFAOYSA-N
MW2812.66 g/mol
LogP35.31
Rot. Bonds35

About 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol

4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol (PubChem CID 167705771) has the molecular formula C157H185BrN14O15S7 and a molecular weight of 2812.66 g/mol. Its IUPAC name is 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
PubChem CID167705771
Molecular FormulaC157H185BrN14O15S7
Molecular Weight2812.66 g/mol
Exact Mass2809.14
IUPAC Name4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CCc1ccc(-c2ccc(-c3c(Br)c(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.CCc1ccc(-c2ccc(-c3cc(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(C(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC2CCCCC2)n1
InChIInChI=1S/C24H28N2O2S.C23H27BrN2O2S.C23H28N2O3S.C23H28N2O2S.C22H26N2O2S.2C21H24N2O2S/c1-18-15-24(26(25-18)17-19-7-4-3-5-8-19)21-13-11-20(12-14-21)22-9-6-10-23(16-22)29(2,27)28;1-6-17-7-12-20(13-21(17)29(5,27)28)18-8-10-19(11-9-18)23-22(24)16(4)25-26(23)14-15(2)3;1-16(2)15-25-21(14-22(24-25)23(3,4)26)18-11-9-17(10-12-18)19-7-6-8-20(13-19)29(5,27)28;1-6-18-7-12-21(14-23(18)28(5,26)27)19-8-10-20(11-9-19)22-13-17(4)24-25(22)15-16(2)3;1-16-13-21(24(23-16)15-22(2,3)4)18-11-9-17(10-12-18)19-7-6-8-20(14-19)27(5,25)26;1-15-13-20(23(22-15)21(2,3)4)17-11-9-16(10-12-17)18-7-6-8-19(14-18)26(5,24)25;1-15(2)14-23-21(12-16(3)22-23)18-10-8-17(9-11-18)19-6-5-7-20(13-19)26(4,24)25/h6,9-16,19H,3-5,7-8,17H2,1-2H3;7-13,15H,6,14H2,1-5H3;6-14,16,26H,15H2,1-5H3;7-14,16H,6,15H2,1-5H3;6-14H,15H2,1-5H3;6-14H,1-5H3;5-13,15H,14H2,1-4H3
InChIKeyZBSBVACRPMDFQC-UHFFFAOYSA-N
XLogP35.31
TPSA383.95 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002812.66
LogP ≤ 535.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol (CID 167705771) is 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol is CC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CCc1ccc(-c2ccc(-c3c(Br)c(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.CCc1ccc(-c2ccc(-c3cc(C)nn3CC(C)C)cc2)cc1S(C)(=O)=O.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(C(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)C)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC2CCCCC2)n1.
What is the InChIKey of 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The InChIKey is ZBSBVACRPMDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S.C23H27BrN2O2S.C23H28N2O3S.C23H28N2O2S.C22H26N2O2S.2C21H24N2O2S/c1-18-15-24(26(25-18)17-19-7-4-3-5-8-19)21-13-11-20(12-14-21)22-9-6-10-23(16-22)29(2,27)28;1-6-17-7-12-20(13-21(17)29(5,27)28)18-8-10-19(11-9-18)23-22(24)16(4)25-26(23)14-15(2)3;1-16(2)15-25-21(14-22(24-25)23(3,4)26)18-11-9-17(10-12-18)19-7-6-8-20(13-19)29(5,27)28;1-6-18-7-12-21(14-23(18)28(5,26)27)19-8-10-20(11-9-19)22-13-17(4)24-25(22)15-16(2)3;1-16-13-21(24(23-16)15-22(2,3)4)18-11-9-17(10-12-18)19-7-6-8-20(14-19)27(5,25)26;1-15-13-20(23(22-15)21(2,3)4)17-11-9-16(10-12-17)18-7-6-8-19(14-18)26(5,24)25;1-15(2)14-23-21(12-16(3)22-23)18-10-8-17(9-11-18)19-6-5-7-20(13-19)26(4,24)25/h6,9-16,19H,3-5,7-8,17H2,1-2H3;7-13,15H,6,14H2,1-5H3;6-14,16,26H,15H2,1-5H3;7-14,16H,6,15H2,1-5H3;6-14H,15H2,1-5H3;6-14H,1-5H3;5-13,15H,14H2,1-4H3.
What are the key properties of 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol has a molecular weight of 2812.66 g/mol, XLogP of 35.31, 35 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;1-tert-butyl-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(cyclohexylmethyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;1-(2,2-dimethylpropyl)-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole;3-methyl-1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazole;2-[1-(2-methylpropyl)-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 167705771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).