3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C12H9BrN4 — CID 1482609

IUPAC3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccn3)ccnc2c1Br
InChIInChI=1S/C12H9BrN4/c1-8-11(13)12-15-7-5-10(17(12)16-8)9-4-2-3-6-14-9/h2-7H,1H3
InChIKeyBPXMBYLYOGLAGT-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.86
Rot. Bonds1

About 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1482609) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1482609
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccn3)ccnc2c1Br
InChIInChI=1S/C12H9BrN4/c1-8-11(13)12-15-7-5-10(17(12)16-8)9-4-2-3-6-14-9/h2-7H,1H3
InChIKeyBPXMBYLYOGLAGT-UHFFFAOYSA-N
XLogP2.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 1482609) is 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccccn3)ccnc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BPXMBYLYOGLAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c1-8-11(13)12-15-7-5-10(17(12)16-8)9-4-2-3-6-14-9/h2-7H,1H3.
What are the key properties of 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 289.14 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1482609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).