3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine

C11H13BrN4O — CID 118975178

IUPAC3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2ccc(OC3CCNCC3)nc12
InChIInChI=1S/C11H13BrN4O/c12-9-7-14-16-6-3-10(15-11(9)16)17-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2
InChIKeyKVZLWWONYBDLIU-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.62
Rot. Bonds2

About 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine

3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine (PubChem CID 118975178) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
PubChem CID118975178
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2ccc(OC3CCNCC3)nc12
InChIInChI=1S/C11H13BrN4O/c12-9-7-14-16-6-3-10(15-11(9)16)17-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2
InChIKeyKVZLWWONYBDLIU-UHFFFAOYSA-N
XLogP1.62
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine (CID 118975178) is 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine is Brc1cnn2ccc(OC3CCNCC3)nc12.
What is the InChIKey of 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine?
The InChIKey is KVZLWWONYBDLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-9-7-14-16-6-3-10(15-11(9)16)17-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2.
What are the key properties of 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine?
3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine has a molecular weight of 297.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).