1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone

C147H178ClF3N16O9 — CID 158403418

About 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone

1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 158403418) has the molecular formula C147H178ClF3N16O9 and a molecular weight of 2405.59 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• PubChem CID: 158403418
• Molecular Formula: C147H178ClF3N16O9
• Molecular Weight: 2405.59 g/mol
• Exact Mass: 2403.36
• IUPAC Name: 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1cccc(F)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1CCc1ccc(F)cc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C.O=C(CN1CCCC1)c1ccn(-c2ccc(F)cc2)c1
• InChI: InChI=1S/C20H25FN2O.C19H24N2O2.2C19H24N2O.C18H21ClN2O.C18H21FN2O.C18H22N2O.C16H17FN2O/c1-15-13-19(20(24)14-22-10-3-4-11-22)16(2)23(15)12-9-17-5-7-18(21)8-6-17;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;1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16;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;17-14-3-5-15(6-4-14)19-10-7-13(11-19)16(20)12-18-8-1-2-9-18/h5-8,13H,3-4,9-12,14H2,1-2H3;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;5-8,11H,3-4,9-10,12H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;3-5,8-9,12H,6-7,10-11,13H2,1-2H3;3-7,10-11H,1-2,8-9,12H2
• InChIKey: GYJOSZAWPZTPRN-UHFFFAOYSA-N
• XLogP: 28.31
• TPSA: 211.15 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.59
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone (CID 158403418) is 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-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(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1cccc(F)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccccc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1CCc1ccc(F)cc1.Cc1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1.Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCC2)c1C.O=C(CN1CCCC1)c1ccn(-c2ccc(F)cc2)c1.

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

The InChIKey is GYJOSZAWPZTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O.C19H24N2O2.2C19H24N2O.C18H21ClN2O.C18H21FN2O.C18H22N2O.C16H17FN2O/c1-15-13-19(20(24)14-22-10-3-4-11-22)16(2)23(15)12-9-17-5-7-18(21)8-6-17;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;1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16;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;17-14-3-5-15(6-4-14)19-10-7-13(11-19)16(20)12-18-8-1-2-9-18/h5-8,13H,3-4,9-12,14H2,1-2H3;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;5-8,11H,3-4,9-10,12H2,1-2H3;5-7,10-11H,3-4,8-9,12H2,1-2H3;3-5,8-9,12H,6-7,10-11,13H2,1-2H3;3-7,10-11H,1-2,8-9,12H2.

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

1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 2405.59 g/mol, XLogP of 28.31, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-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-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158403418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).