3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol

C12H13N3O — CID 84647155

IUPAC3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol
SMILESOc1cccc(-n2ncc3c2CCCN3)c1
InChIInChI=1S/C12H13N3O/c16-10-4-1-3-9(7-10)15-12-5-2-6-13-11(12)8-14-15/h1,3-4,7-8,13,16H,2,5-6H2
InChIKeyXXTJEXCMCKZOQY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.94
Rot. Bonds1

About 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol

3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol (PubChem CID 84647155) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol
PubChem CID84647155
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol
SMILESOc1cccc(-n2ncc3c2CCCN3)c1
InChIInChI=1S/C12H13N3O/c16-10-4-1-3-9(7-10)15-12-5-2-6-13-11(12)8-14-15/h1,3-4,7-8,13,16H,2,5-6H2
InChIKeyXXTJEXCMCKZOQY-UHFFFAOYSA-N
XLogP1.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol (CID 84647155) is 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol is Oc1cccc(-n2ncc3c2CCCN3)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol?
The InChIKey is XXTJEXCMCKZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-10-4-1-3-9(7-10)15-12-5-2-6-13-11(12)8-14-15/h1,3-4,7-8,13,16H,2,5-6H2.
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol?
3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol has a molecular weight of 215.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol is sourced from PubChem (CID 84647155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).