3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C11H14BrN5 — CID 53325998

IUPAC3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCCNC2)nc2c(Br)cnn12
InChIInChI=1S/C11H14BrN5/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5,13H2
InChIKeyIWYINOFYXWFKAR-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.54
Rot. Bonds1

About 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53325998) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53325998
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCCNC2)nc2c(Br)cnn12
InChIInChI=1S/C11H14BrN5/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5,13H2
InChIKeyIWYINOFYXWFKAR-UHFFFAOYSA-N
XLogP1.54
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53325998) is 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCCNC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IWYINOFYXWFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5,13H2.
What are the key properties of 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 296.17 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53325998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).