1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one

C13H16BrN5O — CID 167973333

IUPAC1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C13H16BrN5O/c1-9(8-18-5-2-3-12(18)20)16-11-4-6-19-13(17-11)10(14)7-15-19/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)
InChIKeyFETMVWKCJIFWGN-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one

1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 167973333) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
PubChem CID167973333
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C13H16BrN5O/c1-9(8-18-5-2-3-12(18)20)16-11-4-6-19-13(17-11)10(14)7-15-19/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)
InChIKeyFETMVWKCJIFWGN-UHFFFAOYSA-N
XLogP1.91
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one (CID 167973333) is 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is FETMVWKCJIFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-9(8-18-5-2-3-12(18)20)16-11-4-6-19-13(17-11)10(14)7-15-19/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17).
What are the key properties of 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one?
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 338.21 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 167973333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).