1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C21H26N4O3 — CID 55602158

About 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55602158) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 55602158
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(C)cc1N1CC(C(=O)NC2CCCc3c2cnn3C)CC1=O
• InChI: InChI=1S/C21H26N4O3/c1-13-7-8-19(28-3)18(9-13)25-12-14(10-20(25)26)21(27)23-16-5-4-6-17-15(16)11-22-24(17)2/h7-9,11,14,16H,4-6,10,12H2,1-3H3,(H,23,27)
• InChIKey: FEFZMZSHVNNSIH-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 55602158) is 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)NC2CCCc3c2cnn3C)CC1=O.

What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is FEFZMZSHVNNSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-7-8-19(28-3)18(9-13)25-12-14(10-20(25)26)21(27)23-16-5-4-6-17-15(16)11-22-24(17)2/h7-9,11,14,16H,4-6,10,12H2,1-3H3,(H,23,27).

What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide?

1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55602158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).