2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate

C129H143Br2N15O20S7 — CID 158531252

About 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate

2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate (PubChem CID 158531252) has the molecular formula C129H143Br2N15O20S7 and a molecular weight of 2607.92 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
• PubChem CID: 158531252
• Molecular Formula: C129H143Br2N15O20S7
• Molecular Weight: 2607.92 g/mol
• Exact Mass: 2603.70
• IUPAC Name: 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)c(Br)c1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.COC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(=O)OCCN(C)C)n1.Cc1cccc(-c2ccc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)s2)c1
• InChI: InChI=1S/C23H28BrN3O2S.C23H27N3O4S.C21H24BrN3O2S.C21H22N2O4S2.C21H22N2O4S.C20H20N2O4S/c1-5-26(6-2)12-13-29-21(28)15-27-23(22(24)17(4)25-27)20-11-10-19(30-20)18-9-7-8-16(3)14-18;1-17-14-22(26(24-17)16-23(27)30-13-12-25(2)3)19-10-8-18(9-11-19)20-6-5-7-21(15-20)31(4,28)29;1-14-6-5-7-16(12-14)17-8-9-18(28-17)21-20(22)15(2)23-25(21)13-19(26)27-11-10-24(3)4;1-15-11-20(23(22-15)13-21(24)27-14-28-2)17-9-7-16(8-10-17)18-5-4-6-19(12-18)29(3,25)26;1-4-27-21(24)14-23-20(12-15(2)22-23)17-10-8-16(9-11-17)18-6-5-7-19(13-18)28(3,25)26;1-14-11-19(22(21-14)13-20(23)26-2)16-9-7-15(8-10-16)17-5-4-6-18(12-17)27(3,24)25/h7-11,14H,5-6,12-13,15H2,1-4H3;5-11,14-15H,12-13,16H2,1-4H3;5-9,12H,10-11,13H2,1-4H3;4-12H,13-14H2,1-3H3;5-13H,4,14H2,1-3H3;4-12H,13H2,1-3H3
• InChIKey: HNJZIWWSMULPNY-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 411.00 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2607.92
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate (CID 158531252) is 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate.

What is the SMILES notation for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate?

The canonical SMILES for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(Br)c1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.COC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(=O)OCCN(C)C)n1.Cc1cccc(-c2ccc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)s2)c1.

What is the InChIKey of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate?

The InChIKey is HNJZIWWSMULPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O2S.C23H27N3O4S.C21H24BrN3O2S.C21H22N2O4S2.C21H22N2O4S.C20H20N2O4S/c1-5-26(6-2)12-13-29-21(28)15-27-23(22(24)17(4)25-27)20-11-10-19(30-20)18-9-7-8-16(3)14-18;1-17-14-22(26(24-17)16-23(27)30-13-12-25(2)3)19-10-8-18(9-11-19)20-6-5-7-21(15-20)31(4,28)29;1-14-6-5-7-16(12-14)17-8-9-18(28-17)21-20(22)15(2)23-25(21)13-19(26)27-11-10-24(3)4;1-15-11-20(23(22-15)13-21(24)27-14-28-2)17-9-7-16(8-10-17)18-5-4-6-19(12-18)29(3,25)26;1-4-27-21(24)14-23-20(12-15(2)22-23)17-10-8-16(9-11-17)18-6-5-7-19(13-18)28(3,25)26;1-14-11-19(22(21-14)13-20(23)26-2)16-9-7-15(8-10-16)17-5-4-6-18(12-17)27(3,24)25/h7-11,14H,5-6,12-13,15H2,1-4H3;5-11,14-15H,12-13,16H2,1-4H3;5-9,12H,10-11,13H2,1-4H3;4-12H,13-14H2,1-3H3;5-13H,4,14H2,1-3H3;4-12H,13H2,1-3H3.

What are the key properties of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate?

2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate has a molecular weight of 2607.92 g/mol, XLogP of 23.73, 42 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158531252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).