2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one

C11H12N4O — CID 82393673

IUPAC2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
SMILESO=C1CCNC(c2cnn3cccnc23)C1
InChIInChI=1S/C11H12N4O/c16-8-2-4-12-10(6-8)9-7-14-15-5-1-3-13-11(9)15/h1,3,5,7,10,12H,2,4,6H2
InChIKeyWLRTWAQYZTUWKD-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.72
Rot. Bonds1

About 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one

2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one (PubChem CID 82393673) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
PubChem CID82393673
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one
SMILESO=C1CCNC(c2cnn3cccnc23)C1
InChIInChI=1S/C11H12N4O/c16-8-2-4-12-10(6-8)9-7-14-15-5-1-3-13-11(9)15/h1,3,5,7,10,12H,2,4,6H2
InChIKeyWLRTWAQYZTUWKD-UHFFFAOYSA-N
XLogP0.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797553
N-propan-2-yl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134798268
6-Piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 84809093
N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 90806001
3-Piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 117103191
4-[4-(Cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]-3-iminobutan-2-one
CID 123507324
4-[[7-(Cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
CID 123840964
1-Pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
CID 134369262
2-Methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 134597016
2,3,7,13-Tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 136486452
1-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropan-1-one
CID 144185687
2,3,7,13-Tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 144337364

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one?
The IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one (CID 82393673) is 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one is O=C1CCNC(c2cnn3cccnc23)C1.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one?
The InChIKey is WLRTWAQYZTUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-8-2-4-12-10(6-8)9-7-14-15-5-1-3-13-11(9)15/h1,3,5,7,10,12H,2,4,6H2.
What are the key properties of 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one?
2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrimidin-3-ylpiperidin-4-one is sourced from PubChem (CID 82393673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).