3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole

C115H138Br3ClN24O7S5 — CID 158996679

About 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole

3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole (PubChem CID 158996679) has the molecular formula C115H138Br3ClN24O7S5 and a molecular weight of 2404.03 g/mol. Its IUPAC name is 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole
• PubChem CID: 158996679
• Molecular Formula: C115H138Br3ClN24O7S5
• Molecular Weight: 2404.03 g/mol
• Exact Mass: 2398.70
• IUPAC Name: 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole
• SMILES: Brc1cccs1.Brc1cncnc1.C1=CCC=C1.C=Cc1nc[nH]c1C.CC(=O)c1cccn1C.CC(=O)c1cnn(C)c1.CCOC(=O)C1=CCC=C1.COc1ccnc(C)n1.Cc1c(Br)ccn1C.Cc1cc(C)n(C)n1.Cc1cc(C=O)c(C)n1-c1ccccc1.Cc1ccc(C)s1.Cc1sccc1C=O.Clc1ccsc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1c[nH]cn1.c1ccsc1.c1cnccn1.c1cncnc1
• InChI: InChI=1S/C13H13NO.C8H10O2.C7H9NO.C6H8BrN.2C6H8N2O.C6H10N2.C6H8N2.C6H6OS.C6H8S.C5H7N.C5H6.C4H3BrN2.C4H3BrS.C4H3ClS.2C4H6N2.2C4H4N2.C4H4S.C3H4N2/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13;1-2-10-8(9)7-5-3-4-6-7;1-6(9)7-4-3-5-8(7)2;1-5-6(7)3-4-8(5)2;1-5(9)6-3-7-8(2)4-6;1-5-7-4-3-6(8-5)9-2;1-5-4-6(2)8(3)7-5;1-3-6-5(2)7-4-8-6;1-5-6(4-7)2-3-8-5;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-2-4-5-3-1;5-4-1-6-3-7-2-4;5-4-2-1-3-6-4;5-4-1-2-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h3-9H,1-2H3;3,5-6H,2,4H2,1H3;3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;4H,1-3H3;3-4H,1H2,2H3,(H,7,8);2-4H,1H3;3-4H,1-2H3;2-5H,1H3;1-4H,5H2;1-3H;2*1-3H;2*2-4H,1H3;2*1-4H;1-4H;1-3H,(H,4,5)
• InChIKey: JQVBIUWFKGTSNI-UHFFFAOYSA-N
• XLogP: 28.34
• TPSA: 355.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 9
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.03
LogP ≤ 5	28.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole?

The IUPAC name of 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole (CID 158996679) is 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole.

What is the SMILES notation for 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole?

The canonical SMILES for 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole is Brc1cccs1.Brc1cncnc1.C1=CCC=C1.C=Cc1nc[nH]c1C.CC(=O)c1cccn1C.CC(=O)c1cnn(C)c1.CCOC(=O)C1=CCC=C1.COc1ccnc(C)n1.Cc1c(Br)ccn1C.Cc1cc(C)n(C)n1.Cc1cc(C=O)c(C)n1-c1ccccc1.Cc1ccc(C)s1.Cc1sccc1C=O.Clc1ccsc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1c[nH]cn1.c1ccsc1.c1cnccn1.c1cncnc1.

What is the InChIKey of 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole?

The InChIKey is JQVBIUWFKGTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C8H10O2.C7H9NO.C6H8BrN.2C6H8N2O.C6H10N2.C6H8N2.C6H6OS.C6H8S.C5H7N.C5H6.C4H3BrN2.C4H3BrS.C4H3ClS.2C4H6N2.2C4H4N2.C4H4S.C3H4N2/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13;1-2-10-8(9)7-5-3-4-6-7;1-6(9)7-4-3-5-8(7)2;1-5-6(7)3-4-8(5)2;1-5(9)6-3-7-8(2)4-6;1-5-7-4-3-6(8-5)9-2;1-5-4-6(2)8(3)7-5;1-3-6-5(2)7-4-8-6;1-5-6(4-7)2-3-8-5;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-2-4-5-3-1;5-4-1-6-3-7-2-4;5-4-2-1-3-6-4;5-4-1-2-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h3-9H,1-2H3;3,5-6H,2,4H2,1H3;3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;4H,1-3H3;3-4H,1H2,2H3,(H,7,8);2-4H,1H3;3-4H,1-2H3;2-5H,1H3;1-4H,5H2;1-3H;2*1-3H;2*2-4H,1H3;2*1-4H;1-4H;1-3H,(H,4,5).

What are the key properties of 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole?

3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole has a molecular weight of 2404.03 g/mol, XLogP of 28.34, 9 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1,2-dimethylpyrrole;5-bromopyrimidine;2-bromothiophene;3-chlorothiophene;cyclopenta-1,3-diene;2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde;2,5-dimethylthiophene;4-ethenyl-5-methyl-1H-imidazole;ethyl cyclopenta-1,4-diene-1-carboxylate;1H-imidazole;4-methoxy-2-methylpyrimidine;1-methylimidazole;1-methylpyrazole;1-(1-methylpyrazol-4-yl)ethanone;1-methylpyrrole;1-(1-methylpyrrol-2-yl)ethanone;2-methylthiophene-3-carbaldehyde;pyrazine;pyrimidine;thiophene;1,3,5-trimethylpyrazole is sourced from PubChem (CID 158996679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).