3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C11H13BrN4O — CID 137018522

IUPAC3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(Br)c2[nH]1
InChIInChI=1S/C11H13BrN4O/c12-8-6-14-16-9(5-10(17)15-11(8)16)7-1-3-13-4-2-7/h5-7,13H,1-4H2,(H,15,17)
InChIKeyHXVUNKLZUFLWAW-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.25
Rot. Bonds1

About 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018522) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018522
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(Br)c2[nH]1
InChIInChI=1S/C11H13BrN4O/c12-8-6-14-16-9(5-10(17)15-11(8)16)7-1-3-13-4-2-7/h5-7,13H,1-4H2,(H,15,17)
InChIKeyHXVUNKLZUFLWAW-UHFFFAOYSA-N
XLogP1.25
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 103
CID 137018571
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 99
CID 137018285
US10118930, Example 287
CID 137018301
US10118930, Example 19
CID 137018318
US10118930, Example 324
CID 137018323
US10118930, Example 65
CID 137018334
US10118930, Example 91
CID 137018337
US10118930, Example 93
CID 137018341
US10118930, Example 96
CID 137018343
US10118930, Example 348
CID 137018357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018522) is 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(Br)c2[nH]1.
What is the InChIKey of 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is HXVUNKLZUFLWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-6-14-16-9(5-10(17)15-11(8)16)7-1-3-13-4-2-7/h5-7,13H,1-4H2,(H,15,17).
What are the key properties of 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 297.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).