1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C24H25N5O4 — CID 56531420

About 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 56531420) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 56531420
• Molecular Formula: C24H25N5O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.19
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(C)(C)c1cc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)n(-c2ccccn2)n1
• InChI: InChI=1S/C24H25N5O4/c1-24(2,3)19-12-21(29(27-19)20-6-4-5-9-25-20)26-23(31)15-10-22(30)28(13-15)16-7-8-17-18(11-16)33-14-32-17/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,26,31)
• InChIKey: PMMJAXSHDJKSMI-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 56531420) is 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)n(-c2ccccn2)n1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is PMMJAXSHDJKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-24(2,3)19-12-21(29(27-19)20-6-4-5-9-25-20)26-23(31)15-10-22(30)28(13-15)16-7-8-17-18(11-16)33-14-32-17/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,26,31).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56531420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).