1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol

C14H14BrN5O — CID 21065569

IUPAC1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5O/c1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h2-6,8-9,17,21H,7H2,1H3
InChIKeyXHFFQESSSWNADX-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.55
Rot. Bonds4

About 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol

1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol (PubChem CID 21065569) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol
PubChem CID21065569
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5O/c1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h2-6,8-9,17,21H,7H2,1H3
InChIKeyXHFFQESSSWNADX-UHFFFAOYSA-N
XLogP2.55
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol (CID 21065569) is 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol is CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol?
The InChIKey is XHFFQESSSWNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h2-6,8-9,17,21H,7H2,1H3.
What are the key properties of 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol?
1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol has a molecular weight of 348.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 21065569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).