2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate

C123H141Cl5N20O12S2 — CID 157399799

About 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate

2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate (PubChem CID 157399799) has the molecular formula C123H141Cl5N20O12S2 and a molecular weight of 2333.01 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate
• PubChem CID: 157399799
• Molecular Formula: C123H141Cl5N20O12S2
• Molecular Weight: 2333.01 g/mol
• Exact Mass: 2328.89
• IUPAC Name: 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.Cc1cccc(-c2ccc(-c3c(Cl)c(C)nn3CC(=O)OCCN(C)C)[nH]2)c1
• InChI: InChI=1S/C23H29ClN4O2.C23H29N3O2S.C21H25ClN4O2.C19H20ClN3O2S.C19H20ClN3O2.C18H18ClN3O2/c1-5-27(6-2)12-13-30-21(29)15-28-23(22(24)17(4)26-28)20-11-10-19(25-20)18-9-7-8-16(3)14-18;1-5-25(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;1-14-6-5-7-16(12-14)17-8-9-18(23-17)21-20(22)15(2)24-26(21)13-19(27)28-11-10-25(3)4;1-12-5-4-6-14(9-12)15-7-8-16(21-15)19-18(20)13(2)22-23(19)10-17(24)25-11-26-3;1-4-25-17(24)11-23-19(18(20)13(3)22-23)16-9-8-15(21-16)14-7-5-6-12(2)10-14;1-11-5-4-6-13(9-11)14-7-8-15(20-14)18-17(19)12(2)21-22(18)10-16(23)24-3/h7-11,14,25H,5-6,12-13,15H2,1-4H3;7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12,23H,10-11,13H2,1-4H3;4-9,21H,10-11H2,1-3H3;5-10,21H,4,11H2,1-3H3;4-9,20H,10H2,1-3H3
• InChIKey: BMZZFBZZGZDSKV-UHFFFAOYSA-N
• XLogP: 26.45
• TPSA: 353.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.01
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

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-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate (CID 157399799) is 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate.

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

The canonical SMILES for 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.Cc1cccc(-c2ccc(-c3c(Cl)c(C)nn3CC(=O)OCCN(C)C)[nH]2)c1.

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

The InChIKey is BMZZFBZZGZDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2.C23H29N3O2S.C21H25ClN4O2.C19H20ClN3O2S.C19H20ClN3O2.C18H18ClN3O2/c1-5-27(6-2)12-13-30-21(29)15-28-23(22(24)17(4)26-28)20-11-10-19(25-20)18-9-7-8-16(3)14-18;1-5-25(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;1-14-6-5-7-16(12-14)17-8-9-18(23-17)21-20(22)15(2)24-26(21)13-19(27)28-11-10-25(3)4;1-12-5-4-6-14(9-12)15-7-8-16(21-15)19-18(20)13(2)22-23(19)10-17(24)25-11-26-3;1-4-25-17(24)11-23-19(18(20)13(3)22-23)16-9-8-15(21-16)14-7-5-6-12(2)10-14;1-11-5-4-6-13(9-11)14-7-8-15(20-14)18-17(19)12(2)21-22(18)10-16(23)24-3/h7-11,14,25H,5-6,12-13,15H2,1-4H3;7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12,23H,10-11,13H2,1-4H3;4-9,21H,10-11H2,1-3H3;5-10,21H,4,11H2,1-3H3;4-9,20H,10H2,1-3H3.

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

2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate has a molecular weight of 2333.01 g/mol, XLogP of 26.45, 40 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 157399799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).