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

C113H142FN13O7 — CID 158895759

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

1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 158895759) has the molecular formula C113H142FN13O7 and a molecular weight of 1813.46 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• PubChem CID: 158895759
• Molecular Formula: C113H142FN13O7
• Molecular Weight: 1813.46 g/mol
• Exact Mass: 1812.11
• IUPAC Name: 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• SMILES: COc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(N(C)C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1cccc(F)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C
• InChI: InChI=1S/C20H27N3O.C19H24N2O2.2C19H24N2O.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;1-14-12-16(18(22)13-20-10-6-7-11-20)15(2)21(14)17-8-4-5-9-19(17)23-3;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;1-14-8-4-5-9-18(14)21-15(2)12-17(16(21)3)19(22)13-20-10-6-7-11-20;1-13-10-17(18(22)12-20-8-3-4-9-20)14(2)21(13)16-7-5-6-15(19)11-16;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;4-5,8-9,12H,6-7,10-11,13H2,1-3H3;6-9,12H,4-5,10-11,13H2,1-3H3;4-5,8-9,12H,6-7,10-11,13H2,1-3H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;3-5,8-9,12H,6-7,10-11,13H2,1-2H3
• InChIKey: JEUROKHQXXJZJO-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 163.91 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.46
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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

The IUPAC name of 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (CID 158895759) is 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone.

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

The canonical SMILES for 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone is COc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(N(C)C)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1cccc(F)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C.

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

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

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

1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 1813.46 g/mol, XLogP of 21.07, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;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-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158895759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).