7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid

C57H73N9O7 — CID 158525101

About 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid

7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid (PubChem CID 158525101) has the molecular formula C57H73N9O7 and a molecular weight of 996.27 g/mol. Its IUPAC name is 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid
• PubChem CID: 158525101
• Molecular Formula: C57H73N9O7
• Molecular Weight: 996.27 g/mol
• Exact Mass: 995.56
• IUPAC Name: 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid
• SMILES: CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5cnn(C)c5)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCNC4)cc23)C1=O.Cn1ccc(C(=O)O)c1
• InChI: InChI=1S/C28H35N5O3.C23H31N3O2.C6H7NO2/c1-6-28(7-2)16-27(3,4)22-20-12-17(8-9-21(20)31-23(22)24(28)34)25(35)30-19-10-11-33(15-19)26(36)18-13-29-32(5)14-18;1-5-23(6-2)13-22(3,4)18-16-11-14(21(28)25-15-9-10-24-12-15)7-8-17(16)26-19(18)20(23)27;1-7-3-2-5(4-7)6(8)9/h8-9,12-14,19,31H,6-7,10-11,15-16H2,1-5H3,(H,30,35);7-8,11,15,24,26H,5-6,9-10,12-13H2,1-4H3,(H,25,28);2-4H,1H3,(H,8,9)
• InChIKey: HMRRCWXCIJDWEK-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 216.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.27
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid?

The IUPAC name of 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid (CID 158525101) is 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid.

What is the SMILES notation for 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid?

The canonical SMILES for 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid is CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5cnn(C)c5)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCNC4)cc23)C1=O.Cn1ccc(C(=O)O)c1.

What is the InChIKey of 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid?

The InChIKey is HMRRCWXCIJDWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C23H31N3O2.C6H7NO2/c1-6-28(7-2)16-27(3,4)22-20-12-17(8-9-21(20)31-23(22)24(28)34)25(35)30-19-10-11-33(15-19)26(36)18-13-29-32(5)14-18;1-5-23(6-2)13-22(3,4)18-16-11-14(21(28)25-15-9-10-24-12-15)7-8-17(16)26-19(18)20(23)27;1-7-3-2-5(4-7)6(8)9/h8-9,12-14,19,31H,6-7,10-11,15-16H2,1-5H3,(H,30,35);7-8,11,15,24,26H,5-6,9-10,12-13H2,1-4H3,(H,25,28);2-4H,1H3,(H,8,9).

What are the key properties of 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid?

7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid has a molecular weight of 996.27 g/mol, XLogP of 8.87, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diethyl-5,5-dimethyl-N-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7,7-diethyl-5,5-dimethyl-8-oxo-N-pyrrolidin-3-yl-6,9-dihydrocarbazole-3-carboxamide;1-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 158525101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).