5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N5O4 — CID 46973392

About 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46973392) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 46973392
• Molecular Formula: C20H21N5O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.16
• IUPAC Name: 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O
• InChI: InChI=1S/C20H21N5O4/c1-29-8-7-24-12-13(9-17(24)26)16-10-18(27)25-19(23-16)15(11-21-25)20(28)22-14-5-3-2-4-6-14/h2-6,10-11,13,21H,7-9,12H2,1H3,(H,22,28)
• InChIKey: GLAXAXRXNXFACP-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46973392) is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O.

What is the InChIKey of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GLAXAXRXNXFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-29-8-7-24-12-13(9-17(24)26)16-10-18(27)25-19(23-16)15(11-21-25)20(28)22-14-5-3-2-4-6-14/h2-6,10-11,13,21H,7-9,12H2,1H3,(H,22,28).

What are the key properties of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46973392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).