5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one

C11H14N4O — CID 136921456

IUPAC5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one
SMILESO=c1[nH]c(C2CCNCC2)cc2ccnn12
InChIInChI=1S/C11H14N4O/c16-11-14-10(8-1-4-12-5-2-8)7-9-3-6-13-15(9)11/h3,6-8,12H,1-2,4-5H2,(H,14,16)
InChIKeyZPUPIEMWROZPST-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.49
Rot. Bonds1

About 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one

5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one (PubChem CID 136921456) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one.

Molecular Properties

Compound Name5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one
PubChem CID136921456
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one
SMILESO=c1[nH]c(C2CCNCC2)cc2ccnn12
InChIInChI=1S/C11H14N4O/c16-11-14-10(8-1-4-12-5-2-8)7-9-3-6-13-15(9)11/h3,6-8,12H,1-2,4-5H2,(H,14,16)
InChIKeyZPUPIEMWROZPST-UHFFFAOYSA-N
XLogP0.49
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one?
The IUPAC name of 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one (CID 136921456) is 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one.
What is the SMILES notation for 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one?
The canonical SMILES for 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one is O=c1[nH]c(C2CCNCC2)cc2ccnn12.
What is the InChIKey of 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one?
The InChIKey is ZPUPIEMWROZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-11-14-10(8-1-4-12-5-2-8)7-9-3-6-13-15(9)11/h3,6-8,12H,1-2,4-5H2,(H,14,16).
What are the key properties of 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one?
5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one has a molecular weight of 218.26 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-6H-pyrazolo[1,5-c]pyrimidin-7-one is sourced from PubChem (CID 136921456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).