3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol

C12H10N4O — CID 84690404

IUPAC3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
SMILESNc1cnc2cc(-c3cccc(O)c3)nn2c1
InChIInChI=1S/C12H10N4O/c13-9-6-14-12-5-11(15-16(12)7-9)8-2-1-3-10(17)4-8/h1-7,17H,13H2
InChIKeyRWLHEHPWZLUTOV-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.68
Rot. Bonds1

About 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol

3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol (PubChem CID 84690404) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
PubChem CID84690404
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
SMILESNc1cnc2cc(-c3cccc(O)c3)nn2c1
InChIInChI=1S/C12H10N4O/c13-9-6-14-12-5-11(15-16(12)7-9)8-2-1-3-10(17)4-8/h1-7,17H,13H2
InChIKeyRWLHEHPWZLUTOV-UHFFFAOYSA-N
XLogP1.68
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol (CID 84690404) is 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol is Nc1cnc2cc(-c3cccc(O)c3)nn2c1.
What is the InChIKey of 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The InChIKey is RWLHEHPWZLUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-6-14-12-5-11(15-16(12)7-9)8-2-1-3-10(17)4-8/h1-7,17H,13H2.
What are the key properties of 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol?
3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol is sourced from PubChem (CID 84690404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).