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

C110H118Cl4N12O20S6 — CID 158880235

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

2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate (PubChem CID 158880235) has the molecular formula C110H118Cl4N12O20S6 and a molecular weight of 2262.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
• PubChem CID: 158880235
• Molecular Formula: C110H118Cl4N12O20S6
• Molecular Weight: 2262.43 g/mol
• Exact Mass: 2258.57
• IUPAC Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.Cc1nn(CC(=O)OCCN(C)C)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c1Cl
• InChI: InChI=1S/C25H31N3O4S.C23H26ClN3O4S.C21H21ClN2O4S2.C21H21ClN2O4S.C20H19ClN2O4S/c1-5-27(6-2)14-15-32-25(29)18-28-24(16-19(3)26-28)21-12-10-20(11-13-21)22-8-7-9-23(17-22)33(4,30)31;1-16-22(24)23(27(25-16)15-21(28)31-13-12-26(2)3)18-10-8-17(9-11-18)19-6-5-7-20(14-19)32(4,29)30;1-14-20(22)21(24(23-14)12-19(25)28-13-29-2)16-9-7-15(8-10-16)17-5-4-6-18(11-17)30(3,26)27;1-4-28-19(25)13-24-21(20(22)14(2)23-24)16-10-8-15(9-11-16)17-6-5-7-18(12-17)29(3,26)27;1-13-19(21)20(23(22-13)12-18(24)27-2)15-9-7-14(8-10-15)16-5-4-6-17(11-16)28(3,25)26/h7-13,16-17H,5-6,14-15,18H2,1-4H3;5-11,14H,12-13,15H2,1-4H3;4-11H,12-13H2,1-3H3;5-12H,4,13H2,1-3H3;4-11H,12H2,1-3H3
• InChIKey: JCYDDPLSZYVVSU-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 397.78 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.43
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate (CID 158880235) is 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate.

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

The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.Cc1nn(CC(=O)OCCN(C)C)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c1Cl.

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

The InChIKey is JCYDDPLSZYVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S.C23H26ClN3O4S.C21H21ClN2O4S2.C21H21ClN2O4S.C20H19ClN2O4S/c1-5-27(6-2)14-15-32-25(29)18-28-24(16-19(3)26-28)21-12-10-20(11-13-21)22-8-7-9-23(17-22)33(4,30)31;1-16-22(24)23(27(25-16)15-21(28)31-13-12-26(2)3)18-10-8-17(9-11-18)19-6-5-7-20(14-19)32(4,29)30;1-14-20(22)21(24(23-14)12-19(25)28-13-29-2)16-9-7-15(8-10-16)17-5-4-6-18(11-17)30(3,26)27;1-4-28-19(25)13-24-21(20(22)14(2)23-24)16-10-8-15(9-11-16)17-6-5-7-18(12-17)29(3,26)27;1-13-19(21)20(23(22-13)12-18(24)27-2)15-9-7-14(8-10-15)16-5-4-6-17(11-16)28(3,25)26/h7-13,16-17H,5-6,14-15,18H2,1-4H3;5-11,14H,12-13,15H2,1-4H3;4-11H,12-13H2,1-3H3;5-12H,4,13H2,1-3H3;4-11H,12H2,1-3H3.

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

2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate has a molecular weight of 2262.43 g/mol, XLogP of 19.85, 36 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158880235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).