1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C21H26N4O3 — CID 90613890

About 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 90613890) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 90613890
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide
• SMILES: COc1ccc(N2CC(C(=O)NCCn3ncc4c3CCCC4)CC2=O)cc1
• InChI: InChI=1S/C21H26N4O3/c1-28-18-8-6-17(7-9-18)24-14-16(12-20(24)26)21(27)22-10-11-25-19-5-3-2-4-15(19)13-23-25/h6-9,13,16H,2-5,10-12,14H2,1H3,(H,22,27)
• InChIKey: WCXYPFLABUNZRR-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 90613890) is 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCn3ncc4c3CCCC4)CC2=O)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide?

The InChIKey is WCXYPFLABUNZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-18-8-6-17(7-9-18)24-14-16(12-20(24)26)21(27)22-10-11-25-19-5-3-2-4-15(19)13-23-25/h6-9,13,16H,2-5,10-12,14H2,1H3,(H,22,27).

What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide?

1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90613890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).