1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C13H17N5O — CID 158621438

IUPAC1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3CCN(C)CC3)nc12
InChIInChI=1S/C13H17N5O/c1-10(19)11-9-14-18-4-3-12(15-13(11)18)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3
InChIKeyLFYLNEXIGKZDHP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.68
Rot. Bonds2

About 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 158621438) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID158621438
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3CCN(C)CC3)nc12
InChIInChI=1S/C13H17N5O/c1-10(19)11-9-14-18-4-3-12(15-13(11)18)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3
InChIKeyLFYLNEXIGKZDHP-UHFFFAOYSA-N
XLogP0.68
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 158621438) is 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2ccc(N3CCN(C)CC3)nc12.
What is the InChIKey of 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is LFYLNEXIGKZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(19)11-9-14-18-4-3-12(15-13(11)18)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 158621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).