pyrazolo[5,1-a]isoquinolin-2-ylmethanol

C12H10N2O — CID 13161784

IUPACpyrazolo[5,1-a]isoquinolin-2-ylmethanol
SMILESOCc1cc2c3ccccc3ccn2n1
InChIInChI=1S/C12H10N2O/c15-8-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13-10/h1-7,15H,8H2
InChIKeyDTSWXVGCDJGVML-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.98
Rot. Bonds1

About pyrazolo[5,1-a]isoquinolin-2-ylmethanol

pyrazolo[5,1-a]isoquinolin-2-ylmethanol (PubChem CID 13161784) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is pyrazolo[5,1-a]isoquinolin-2-ylmethanol.

Molecular Properties

Compound Namepyrazolo[5,1-a]isoquinolin-2-ylmethanol
PubChem CID13161784
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Namepyrazolo[5,1-a]isoquinolin-2-ylmethanol
SMILESOCc1cc2c3ccccc3ccn2n1
InChIInChI=1S/C12H10N2O/c15-8-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13-10/h1-7,15H,8H2
InChIKeyDTSWXVGCDJGVML-UHFFFAOYSA-N
XLogP1.98
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[5,1-a]isoquinolin-2-ylmethanol?
The IUPAC name of pyrazolo[5,1-a]isoquinolin-2-ylmethanol (CID 13161784) is pyrazolo[5,1-a]isoquinolin-2-ylmethanol.
What is the SMILES notation for pyrazolo[5,1-a]isoquinolin-2-ylmethanol?
The canonical SMILES for pyrazolo[5,1-a]isoquinolin-2-ylmethanol is OCc1cc2c3ccccc3ccn2n1.
What is the InChIKey of pyrazolo[5,1-a]isoquinolin-2-ylmethanol?
The InChIKey is DTSWXVGCDJGVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-8-10-7-12-11-4-2-1-3-9(11)5-6-14(12)13-10/h1-7,15H,8H2.
What are the key properties of pyrazolo[5,1-a]isoquinolin-2-ylmethanol?
pyrazolo[5,1-a]isoquinolin-2-ylmethanol has a molecular weight of 198.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[5,1-a]isoquinolin-2-ylmethanol is sourced from PubChem (CID 13161784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).