2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C14H9N3O2 — CID 135939586

IUPAC2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccco3)nn2c2ccccc12
InChIInChI=1S/C14H9N3O2/c18-14-9-4-1-2-5-11(9)17-13(15-14)8-10(16-17)12-6-3-7-19-12/h1-8H,(H,15,18)
InChIKeyJMZXBIGROAXVNB-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.44
Rot. Bonds1

About 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939586) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939586
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccco3)nn2c2ccccc12
InChIInChI=1S/C14H9N3O2/c18-14-9-4-1-2-5-11(9)17-13(15-14)8-10(16-17)12-6-3-7-19-12/h1-8H,(H,15,18)
InChIKeyJMZXBIGROAXVNB-UHFFFAOYSA-N
XLogP2.44
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939586) is 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3ccco3)nn2c2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is JMZXBIGROAXVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-14-9-4-1-2-5-11(9)17-13(15-14)8-10(16-17)12-6-3-7-19-12/h1-8H,(H,15,18).
What are the key properties of 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 251.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).