4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one

C15H18N4O2 — CID 129298483

IUPAC4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESCCCC(=O)c1cnn2ccc(CC3CNC(=O)C3)nc12
InChIInChI=1S/C15H18N4O2/c1-2-3-13(20)12-9-17-19-5-4-11(18-15(12)19)6-10-7-14(21)16-8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,21)
InChIKeyVYEZECCHKGKCNW-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.39
Rot. Bonds5

About 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one

4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one (PubChem CID 129298483) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one
PubChem CID129298483
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESCCCC(=O)c1cnn2ccc(CC3CNC(=O)C3)nc12
InChIInChI=1S/C15H18N4O2/c1-2-3-13(20)12-9-17-19-5-4-11(18-15(12)19)6-10-7-14(21)16-8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,21)
InChIKeyVYEZECCHKGKCNW-UHFFFAOYSA-N
XLogP1.39
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one (CID 129298483) is 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one is CCCC(=O)c1cnn2ccc(CC3CNC(=O)C3)nc12.
What is the InChIKey of 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is VYEZECCHKGKCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-3-13(20)12-9-17-19-5-4-11(18-15(12)19)6-10-7-14(21)16-8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,21).
What are the key properties of 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one?
4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 286.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butanoylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 129298483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).