3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol

C17H14N2O — CID 12948313

IUPAC3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol
SMILESOc1cccc(-c2cc3n(n2)CCc2ccccc2-3)c1
InChIInChI=1S/C17H14N2O/c20-14-6-3-5-13(10-14)16-11-17-15-7-2-1-4-12(15)8-9-19(17)18-16/h1-7,10-11,20H,8-9H2
InChIKeyANZLXWFIEUTIOJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.48
Rot. Bonds1

About 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol

3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol (PubChem CID 12948313) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol.

Molecular Properties

Compound Name3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol
PubChem CID12948313
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol
SMILESOc1cccc(-c2cc3n(n2)CCc2ccccc2-3)c1
InChIInChI=1S/C17H14N2O/c20-14-6-3-5-13(10-14)16-11-17-15-7-2-1-4-12(15)8-9-19(17)18-16/h1-7,10-11,20H,8-9H2
InChIKeyANZLXWFIEUTIOJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol?
The IUPAC name of 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol (CID 12948313) is 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol.
What is the SMILES notation for 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol?
The canonical SMILES for 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol is Oc1cccc(-c2cc3n(n2)CCc2ccccc2-3)c1.
What is the InChIKey of 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol?
The InChIKey is ANZLXWFIEUTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-14-6-3-5-13(10-14)16-11-17-15-7-2-1-4-12(15)8-9-19(17)18-16/h1-7,10-11,20H,8-9H2.
What are the key properties of 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol?
3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol has a molecular weight of 262.31 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol is sourced from PubChem (CID 12948313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).