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

C82H94N10O8S5 — CID 158278929

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

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate (PubChem CID 158278929) has the molecular formula C82H94N10O8S5 and a molecular weight of 1508.05 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
• PubChem CID: 158278929
• Molecular Formula: C82H94N10O8S5
• Molecular Weight: 1508.05 g/mol
• Exact Mass: 1506.59
• IUPAC Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1
• InChI: InChI=1S/C23H29N3O2S.C21H25N3O2S.C19H20N2O2S2.C19H20N2O2S/c1-5-25(6-2)12-13-28-23(27)16-26-20(15-18(4)24-26)22-11-10-21(29-22)19-9-7-8-17(3)14-19;1-15-6-5-7-17(12-15)19-8-9-20(27-19)18-13-16(2)22-24(18)14-21(25)26-11-10-23(3)4;1-13-5-4-6-15(9-13)17-7-8-18(25-17)16-10-14(2)20-21(16)11-19(22)23-12-24-3;1-4-23-19(22)12-21-16(11-14(3)20-21)18-9-8-17(24-18)15-7-5-6-13(2)10-15/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3
• InChIKey: GJYSDRIWPQPEPW-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 182.96 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.05
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate (CID 158278929) is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate.

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

The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1.

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

The InChIKey is GJYSDRIWPQPEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S.C21H25N3O2S.C19H20N2O2S2.C19H20N2O2S/c1-5-25(6-2)12-13-28-23(27)16-26-20(15-18(4)24-26)22-11-10-21(29-22)19-9-7-8-17(3)14-19;1-15-6-5-7-17(12-15)19-8-9-20(27-19)18-13-16(2)22-24(18)14-21(25)26-11-10-23(3)4;1-13-5-4-6-15(9-13)17-7-8-18(25-17)16-10-14(2)20-21(16)11-19(22)23-12-24-3;1-4-23-19(22)12-21-16(11-14(3)20-21)18-9-8-17(24-18)15-7-5-6-13(2)10-15/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3.

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

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate has a molecular weight of 1508.05 g/mol, XLogP of 18.00, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158278929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).