2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one

C11H9N3O2 — CID 135449340

IUPAC2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2cc(CO)nn12
InChIInChI=1S/C11H9N3O2/c15-6-7-5-10-8-3-1-2-4-9(8)12-11(16)14(10)13-7/h1-5,15H,6H2,(H,12,16)
InChIKeyXLUKOGNIEDDIMV-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.67
Rot. Bonds1

About 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one

2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one (PubChem CID 135449340) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
PubChem CID135449340
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2cc(CO)nn12
InChIInChI=1S/C11H9N3O2/c15-6-7-5-10-8-3-1-2-4-9(8)12-11(16)14(10)13-7/h1-5,15H,6H2,(H,12,16)
InChIKeyXLUKOGNIEDDIMV-UHFFFAOYSA-N
XLogP0.67
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one (CID 135449340) is 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2cc(CO)nn12.
What is the InChIKey of 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
The InChIKey is XLUKOGNIEDDIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-6-7-5-10-8-3-1-2-4-9(8)12-11(16)14(10)13-7/h1-5,15H,6H2,(H,12,16).
What are the key properties of 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one?
2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one has a molecular weight of 215.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).