1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten

C147H173BrClF5N17O11W- — CID 159198234

About 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten (PubChem CID 159198234) has the molecular formula C147H173BrClF5N17O11W- and a molecular weight of 2748.30 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten.

Molecular Properties

• Compound Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten
• PubChem CID: 159198234
• Molecular Formula: C147H173BrClF5N17O11W-
• Molecular Weight: 2748.30 g/mol
• Exact Mass: 2745.18
• IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten
• SMILES: COc1cccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Br)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1.[W]
• InChI: InChI=1S/C19H23FN2O.C19H24N2O2.C19H23N2O.C18H21BrN2O.C18H21ClN2O.2C18H20F2N2O.C18H21N3O3.W/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-14-11-18(19(22)13-20-9-4-5-10-20)15(2)21(14)16-7-6-8-17(12-16)23-3;1-15-13-18(19(22)14-20-11-7-4-8-12-20)16(2)21(15)17-9-5-3-6-10-17;2*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;2*1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-13-11-17(18(22)12-19-9-3-4-10-19)14(2)20(13)15-5-7-16(8-6-15)21(23)24;/h6-9,12H,3-5,10-11,13H2,1-2H3;6-8,11-12H,4-5,9-10,13H2,1-3H3;5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3;2*5-8,11H,3-4,9-10,12H2,1-2H3;2*5-6,9-10H,3-4,7-8,11H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3;/q;;-1
• InChIKey: BYWKGCJBQZKLJD-UHFFFAOYSA-N
• XLogP: 29.59
• TPSA: 254.29 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.30
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten?

The IUPAC name of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten (CID 159198234) is 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten.

What is the SMILES notation for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten?

The canonical SMILES for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten is COc1cccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)c1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Br)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1.[W].

What is the InChIKey of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten?

The InChIKey is BYWKGCJBQZKLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.C19H24N2O2.C19H23N2O.C18H21BrN2O.C18H21ClN2O.2C18H20F2N2O.C18H21N3O3.W/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-14-11-18(19(22)13-20-9-4-5-10-20)15(2)21(14)16-7-6-8-17(12-16)23-3;1-15-13-18(19(22)14-20-11-7-4-8-12-20)16(2)21(15)17-9-5-3-6-10-17;2*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;2*1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-13-11-17(18(22)12-19-9-3-4-10-19)14(2)20(13)15-5-7-16(8-6-15)21(23)24;/h6-9,12H,3-5,10-11,13H2,1-2H3;6-8,11-12H,4-5,9-10,13H2,1-3H3;5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3;2*5-8,11H,3-4,9-10,12H2,1-2H3;2*5-6,9-10H,3-4,7-8,11H2,1-2H3;5-8,11H,3-4,9-10,12H2,1-2H3;/q;;-1;;;;;;.

What are the key properties of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten?

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten has a molecular weight of 2748.30 g/mol, XLogP of 29.59, 34 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;bis(1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone);1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone;1-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;tungsten is sourced from PubChem (CID 159198234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).