5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol

C12H7N3O — CID 164848809

IUPAC5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol
SMILES[C-]#[N+]c1cc2cccc(O)c2c2ccnn12
InChIInChI=1S/C12H7N3O/c1-13-11-7-8-3-2-4-10(16)12(8)9-5-6-14-15(9)11/h2-7,16H
InChIKeyCVVAUMYWLPGHBI-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.74
Rot. Bonds

About 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol

5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol (PubChem CID 164848809) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol.

Molecular Properties

Compound Name5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol
PubChem CID164848809
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol
SMILES[C-]#[N+]c1cc2cccc(O)c2c2ccnn12
InChIInChI=1S/C12H7N3O/c1-13-11-7-8-3-2-4-10(16)12(8)9-5-6-14-15(9)11/h2-7,16H
InChIKeyCVVAUMYWLPGHBI-UHFFFAOYSA-N
XLogP2.74
TPSA41.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol?
The IUPAC name of 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol (CID 164848809) is 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol.
What is the SMILES notation for 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol?
The canonical SMILES for 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol is [C-]#[N+]c1cc2cccc(O)c2c2ccnn12.
What is the InChIKey of 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol?
The InChIKey is CVVAUMYWLPGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c1-13-11-7-8-3-2-4-10(16)12(8)9-5-6-14-15(9)11/h2-7,16H.
What are the key properties of 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol?
5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol has a molecular weight of 209.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol is sourced from PubChem (CID 164848809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).