1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone

C131H163ClFN15O8 — CID 159988904

About 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone

1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 159988904) has the molecular formula C131H163ClFN15O8 and a molecular weight of 2130.29 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• PubChem CID: 159988904
• Molecular Formula: C131H163ClFN15O8
• Molecular Weight: 2130.29 g/mol
• Exact Mass: 2128.25
• IUPAC Name: 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• SMILES: COc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(N(C)C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1Cl.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1F.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1
• InChI: InChI=1S/C20H27N3O.C19H24N2O2.2C19H24N2O.C18H21ClN2O.C18H21FN2O.C18H22N2O/c1-15-13-19(20(24)14-22-11-5-6-12-22)16(2)23(15)18-9-7-17(8-10-18)21(3)4;1-14-12-18(19(22)13-20-10-4-5-11-20)15(2)21(14)16-6-8-17(23-3)9-7-16;2*1-14-6-8-17(9-7-14)21-15(2)12-18(16(21)3)19(22)13-20-10-4-5-11-20;2*1-13-11-15(18(22)12-20-9-5-6-10-20)14(2)21(13)17-8-4-3-7-16(17)19;1-14-12-17(18(21)13-19-10-6-7-11-19)15(2)20(14)16-8-4-3-5-9-16/h7-10,13H,5-6,11-12,14H2,1-4H3;6-9,12H,4-5,10-11,13H2,1-3H3;2*6-9,12H,4-5,10-11,13H2,1-3H3;2*3-4,7-8,11H,5-6,9-10,12H2,1-2H3;3-5,8-9,12H,6-7,10-11,13H2,1-2H3
• InChIKey: OGRQCURFCHHPDW-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 189.15 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.29
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone?

The IUPAC name of 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (CID 159988904) is 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone.

What is the SMILES notation for 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone?

The canonical SMILES for 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone is COc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(N(C)C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1Cl.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1F.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.

What is the InChIKey of 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone?

The InChIKey is OGRQCURFCHHPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.C19H24N2O2.2C19H24N2O.C18H21ClN2O.C18H21FN2O.C18H22N2O/c1-15-13-19(20(24)14-22-11-5-6-12-22)16(2)23(15)18-9-7-17(8-10-18)21(3)4;1-14-12-18(19(22)13-20-10-4-5-11-20)15(2)21(14)16-6-8-17(23-3)9-7-16;2*1-14-6-8-17(9-7-14)21-15(2)12-18(16(21)3)19(22)13-20-10-4-5-11-20;2*1-13-11-15(18(22)12-20-9-5-6-10-20)14(2)21(13)17-8-4-3-7-16(17)19;1-14-12-17(18(21)13-19-10-6-7-11-19)15(2)20(14)16-8-4-3-5-9-16/h7-10,13H,5-6,11-12,14H2,1-4H3;6-9,12H,4-5,10-11,13H2,1-3H3;2*6-9,12H,4-5,10-11,13H2,1-3H3;2*3-4,7-8,11H,5-6,9-10,12H2,1-2H3;3-5,8-9,12H,6-7,10-11,13H2,1-2H3.

What are the key properties of 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone?

1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 2130.29 g/mol, XLogP of 25.09, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone;1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 159988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).