5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one

C16H24N4O3S — CID 53146909

IUPAC5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCS(=O)(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C16H24N4O3S/c1-3-4-11-24(22,23)19-9-6-13(7-10-19)14-12-16(21)20-15(18(14)2)5-8-17-20/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3
InChIKeyDAACUJLZLYPYLA-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.34
Rot. Bonds5

About 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one

5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 53146909) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID53146909
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCS(=O)(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C16H24N4O3S/c1-3-4-11-24(22,23)19-9-6-13(7-10-19)14-12-16(21)20-15(18(14)2)5-8-17-20/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3
InChIKeyDAACUJLZLYPYLA-UHFFFAOYSA-N
XLogP1.34
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one (CID 53146909) is 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one is CCCCS(=O)(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1.
What is the InChIKey of 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DAACUJLZLYPYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-4-11-24(22,23)19-9-6-13(7-10-19)14-12-16(21)20-15(18(14)2)5-8-17-20/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 352.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylsulfonylpiperidin-4-yl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53146909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).