1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one

C15H21N5O — CID 62406382

IUPAC1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc2ncc(CNC(C)CN3CCCC3=O)cn2n1
InChIInChI=1S/C15H21N5O/c1-11-6-14-17-8-13(10-20(14)18-11)7-16-12(2)9-19-5-3-4-15(19)21/h6,8,10,12,16H,3-5,7,9H2,1-2H3
InChIKeySTIYFAGVAPFSAJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 62406382) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID62406382
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc2ncc(CNC(C)CN3CCCC3=O)cn2n1
InChIInChI=1S/C15H21N5O/c1-11-6-14-17-8-13(10-20(14)18-11)7-16-12(2)9-19-5-3-4-15(19)21/h6,8,10,12,16H,3-5,7,9H2,1-2H3
InChIKeySTIYFAGVAPFSAJ-UHFFFAOYSA-N
XLogP1.14
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one (CID 62406382) is 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one is Cc1cc2ncc(CNC(C)CN3CCCC3=O)cn2n1.
What is the InChIKey of 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is STIYFAGVAPFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-6-14-17-8-13(10-20(14)18-11)7-16-12(2)9-19-5-3-4-15(19)21/h6,8,10,12,16H,3-5,7,9H2,1-2H3.
What are the key properties of 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 287.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 62406382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).