4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one

C26H27ClN4O2 — CID 108750214

About 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one

4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one (PubChem CID 108750214) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
• PubChem CID: 108750214
• Molecular Formula: C26H27ClN4O2
• Molecular Weight: 462.98 g/mol
• Exact Mass: 462.18
• IUPAC Name: 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
• SMILES: CCc1cccc(C)c1N1CC(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1=O
• InChI: InChI=1S/C26H27ClN4O2/c1-3-17-6-4-5-16(2)25(17)31-14-19(13-23(31)32)26(33)30-12-11-22-21(15-30)24(29-28-22)18-7-9-20(27)10-8-18/h4-10,19H,3,11-15H2,1-2H3,(H,28,29)
• InChIKey: QUZZQKLEGOUIEX-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.98
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one?

The IUPAC name of 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one (CID 108750214) is 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one?

The canonical SMILES for 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one is CCc1cccc(C)c1N1CC(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1=O.

What is the InChIKey of 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one?

The InChIKey is QUZZQKLEGOUIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-3-17-6-4-5-16(2)25(17)31-14-19(13-23(31)32)26(33)30-12-11-22-21(15-30)24(29-28-22)18-7-9-20(27)10-8-18/h4-10,19H,3,11-15H2,1-2H3,(H,28,29).

What are the key properties of 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one?

4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one has a molecular weight of 462.98 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 108750214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).