2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate

C121H132N30O15S7 — CID 158440920

About 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate (PubChem CID 158440920) has the molecular formula C121H132N30O15S7 and a molecular weight of 2471.05 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate
• PubChem CID: 158440920
• Molecular Formula: C121H132N30O15S7
• Molecular Weight: 2471.05 g/mol
• Exact Mass: 2468.85
• IUPAC Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.CCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.COC(=O)Cn1nc(C)cc1-c1noc(-c2cccc(C)c2)n1.COC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.CSCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.Cc1cccc(-c2nc(-c3cc(C)nn3CC(=O)O)ns2)c1.Cc1cccc(-c2nc(-c3cc(C)nn3CC(=O)OCCN(C)C)ns2)c1
• InChI: InChI=1S/C21H27N5O2S.C19H23N5O2S.C17H18N4O2S2.C17H18N4O2S.C16H16N4O3.C16H16N4O2S.C15H14N4O2S/c1-5-25(6-2)10-11-28-19(27)14-26-18(13-16(4)23-26)20-22-21(29-24-20)17-9-7-8-15(3)12-17;1-13-6-5-7-15(10-13)19-20-18(22-27-19)16-11-14(2)21-24(16)12-17(25)26-9-8-23(3)4;1-11-5-4-6-13(7-11)17-18-16(20-25-17)14-8-12(2)19-21(14)9-15(22)23-10-24-3;1-4-23-15(22)10-21-14(9-12(3)19-21)16-18-17(24-20-16)13-7-5-6-11(2)8-13;2*1-10-5-4-6-12(7-10)16-17-15(19-23-16)13-8-11(2)18-20(13)9-14(21)22-3;1-9-4-3-5-11(6-9)15-16-14(18-22-15)12-7-10(2)17-19(12)8-13(20)21/h7-9,12-13H,5-6,10-11,14H2,1-4H3;5-7,10-11H,8-9,12H2,1-4H3;4-8H,9-10H2,1-3H3;5-9H,4,10H2,1-3H3;2*4-8H,9H2,1-3H3;3-7H,8H2,1-2H3,(H,20,21)
• InChIKey: HCUMODMJWKDRIN-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 519.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 51
• Rotatable Bonds: 39
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.05
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	51

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-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate (CID 158440920) is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate.

What is the SMILES notation for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate?

The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.CCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.COC(=O)Cn1nc(C)cc1-c1noc(-c2cccc(C)c2)n1.COC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.CSCOC(=O)Cn1nc(C)cc1-c1nsc(-c2cccc(C)c2)n1.Cc1cccc(-c2nc(-c3cc(C)nn3CC(=O)O)ns2)c1.Cc1cccc(-c2nc(-c3cc(C)nn3CC(=O)OCCN(C)C)ns2)c1.

What is the InChIKey of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate?

The InChIKey is HCUMODMJWKDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S.C19H23N5O2S.C17H18N4O2S2.C17H18N4O2S.C16H16N4O3.C16H16N4O2S.C15H14N4O2S/c1-5-25(6-2)10-11-28-19(27)14-26-18(13-16(4)23-26)20-22-21(29-24-20)17-9-7-8-15(3)12-17;1-13-6-5-7-15(10-13)19-20-18(22-27-19)16-11-14(2)21-24(16)12-17(25)26-9-8-23(3)4;1-11-5-4-6-13(7-11)17-18-16(20-25-17)14-8-12(2)19-21(14)9-15(22)23-10-24-3;1-4-23-15(22)10-21-14(9-12(3)19-21)16-18-17(24-20-16)13-7-5-6-11(2)8-13;2*1-10-5-4-6-12(7-10)16-17-15(19-23-16)13-8-11(2)18-20(13)9-14(21)22-3;1-9-4-3-5-11(6-9)15-16-14(18-22-15)12-7-10(2)17-19(12)8-13(20)21/h7-9,12-13H,5-6,10-11,14H2,1-4H3;5-7,10-11H,8-9,12H2,1-4H3;4-8H,9-10H2,1-3H3;5-9H,4,10H2,1-3H3;2*4-8H,9H2,1-3H3;3-7H,8H2,1-2H3,(H,20,21).

What are the key properties of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate?

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate has a molecular weight of 2471.05 g/mol, XLogP of 21.18, 39 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158440920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).