1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H25N5O3 — CID 126945554

About 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945554) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945554
• Molecular Formula: C17H25N5O3
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.20
• IUPAC Name: 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: CC(=O)N1CCC(O)(CN2CC(n3cc(N4CCCC4=O)cn3)C2)C1
• InChI: InChI=1S/C17H25N5O3/c1-13(23)20-6-4-17(25,12-20)11-19-8-15(9-19)22-10-14(7-18-22)21-5-2-3-16(21)24/h7,10,15,25H,2-6,8-9,11-12H2,1H3
• InChIKey: XVZYNVAEWIQBNU-UHFFFAOYSA-N
• XLogP: -0.15
• TPSA: 81.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945554) is 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is CC(=O)N1CCC(O)(CN2CC(n3cc(N4CCCC4=O)cn3)C2)C1.

What is the InChIKey of 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is XVZYNVAEWIQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(23)20-6-4-17(25,12-20)11-19-8-15(9-19)22-10-14(7-18-22)21-5-2-3-16(21)24/h7,10,15,25H,2-6,8-9,11-12H2,1H3.

What are the key properties of 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).