(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

C12H13BrN4O — CID 2842282

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCCCC1
InChIInChI=1S/C12H13BrN4O/c13-9-7-14-11-6-10(15-17(11)8-9)12(18)16-4-2-1-3-5-16/h6-8H,1-5H2
InChIKeyUCFRNGOVUCOFOV-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.12
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (PubChem CID 2842282) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
PubChem CID2842282
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCCCC1
InChIInChI=1S/C12H13BrN4O/c13-9-7-14-11-6-10(15-17(11)8-9)12(18)16-4-2-1-3-5-16/h6-8H,1-5H2
InChIKeyUCFRNGOVUCOFOV-UHFFFAOYSA-N
XLogP2.12
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (CID 2842282) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is O=C(c1cc2ncc(Br)cn2n1)N1CCCCC1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is UCFRNGOVUCOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-9-7-14-11-6-10(15-17(11)8-9)12(18)16-4-2-1-3-5-16/h6-8H,1-5H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 309.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2842282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).