1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H19N7O — CID 126945584

About 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945584) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945584
• Molecular Formula: C17H19N7O
• Molecular Weight: 337.39 g/mol
• Exact Mass: 337.17
• IUPAC Name: 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: Cc1cc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n2nccc2n1
• InChI: InChI=1S/C17H19N7O/c1-12-7-16(24-15(20-12)4-5-18-24)21-9-14(10-21)23-11-13(8-19-23)22-6-2-3-17(22)25/h4-5,7-8,11,14H,2-3,6,9-10H2,1H3
• InChIKey: XKUKKCVVCUMMJC-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 71.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.39
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945584) is 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cc1cc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n2nccc2n1.

What is the InChIKey of 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is XKUKKCVVCUMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-7-16(24-15(20-12)4-5-18-24)21-9-14(10-21)23-11-13(8-19-23)22-6-2-3-17(22)25/h4-5,7-8,11,14H,2-3,6,9-10H2,1H3.

What are the key properties of 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 337.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).