4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C20H23ClN4O2 — CID 108750075

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

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 108750075) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 108750075
• Molecular Formula: C20H23ClN4O2
• Molecular Weight: 386.88 g/mol
• Exact Mass: 386.15
• IUPAC Name: 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• SMILES: CC(C)N1CC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)CC1=O
• InChI: InChI=1S/C20H23ClN4O2/c1-12(2)25-10-14(9-18(25)26)20(27)24-7-6-17-16(11-24)19(23-22-17)13-4-3-5-15(21)8-13/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,22,23)
• InChIKey: BOVHEUJCMGRPPX-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.88
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 108750075) is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

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

The canonical SMILES for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)CC1=O.

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

The InChIKey is BOVHEUJCMGRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-12(2)25-10-14(9-18(25)26)20(27)24-7-6-17-16(11-24)19(23-22-17)13-4-3-5-15(21)8-13/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,22,23).

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

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 386.88 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 108750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).