3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate

C₉₃H₉₁Cl₅F₃N₁₅O₈ — CID 159723838

About 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate

3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate (PubChem CID 159723838) has the molecular formula C₉₃H₉₁Cl₅F₃N₁₅O₈ and a molecular weight of 1781.11 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
• PubChem CID: 159723838
• Molecular Formula: C₉₃H₉₁Cl₅F₃N₁₅O₈
• Molecular Weight: 1781.11 g/mol
• Exact Mass: 1777.56
• IUPAC Name: 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]cc(C)c1-c1ccc(Cl)cc1.CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1-c1cnccn1.Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(-c2cnccn2)c1C(F)(F)F.Cc1cn(-c2cnccn2)c(C(=O)N(C)CC(C)(C)C)c1-c1ccc(Cl)cc1.Cc1cn(-c2cnccn2)c(C(=O)O)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H24ClF3N4O.C22H25ClN4O.C18H16ClN3O2.C16H12ClN3O2.C14H14ClNO2/c1-14-18(15-6-8-16(24)9-7-15)19(21(32)30(5)13-22(2,3)4)31(20(14)23(25,26)27)17-12-28-10-11-29-17;1-15-13-27(18-12-24-10-11-25-18)20(21(28)26(5)14-22(2,3)4)19(15)16-6-8-17(23)9-7-16;1-3-24-18(23)17-16(13-4-6-14(19)7-5-13)12(2)11-22(17)15-10-20-8-9-21-15;1-10-9-20(13-8-18-6-7-19-13)15(16(21)22)14(10)11-2-4-12(17)5-3-11;1-3-18-14(17)13-12(9(2)8-16-13)10-4-6-11(15)7-5-10/h6-12H,13H2,1-5H3;6-13H,14H2,1-5H3;4-11H,3H2,1-2H3;2-9H,1H3,(H,21,22);4-8,16H,3H2,1-2H3
• InChIKey: NAJNHUVRFBHQHD-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 269.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.11
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?

The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate (CID 159723838) is 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1-c1ccc(Cl)cc1.CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1-c1cnccn1.Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(-c2cnccn2)c1C(F)(F)F.Cc1cn(-c2cnccn2)c(C(=O)N(C)CC(C)(C)C)c1-c1ccc(Cl)cc1.Cc1cn(-c2cnccn2)c(C(=O)O)c1-c1ccc(Cl)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?

The InChIKey is NAJNHUVRFBHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O.C22H25ClN4O.C18H16ClN3O2.C16H12ClN3O2.C14H14ClNO2/c1-14-18(15-6-8-16(24)9-7-15)19(21(32)30(5)13-22(2,3)4)31(20(14)23(25,26)27)17-12-28-10-11-29-17;1-15-13-27(18-12-24-10-11-25-18)20(21(28)26(5)14-22(2,3)4)19(15)16-6-8-17(23)9-7-16;1-3-24-18(23)17-16(13-4-6-14(19)7-5-13)12(2)11-22(17)15-10-20-8-9-21-15;1-10-9-20(13-8-18-6-7-19-13)15(16(21)22)14(10)11-2-4-12(17)5-3-11;1-3-18-14(17)13-12(9(2)8-16-13)10-4-6-11(15)7-5-10/h6-12H,13H2,1-5H3;6-13H,14H2,1-5H3;4-11H,3H2,1-2H3;2-9H,1H3,(H,21,22);4-8,16H,3H2,1-2H3.

What are the key properties of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?

3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 1781.11 g/mol, XLogP of 22.53, 18 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 159723838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159723838 — identifiers, structure, computed properties (public domain)

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