5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile

C11H6N4O — CID 135473043

IUPAC5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C11H6N4O/c12-5-7-6-13-15-9-4-2-1-3-8(9)11(16)14-10(7)15/h1-4,6H,(H,14,16)
InChIKeyXPVNWXTVBDLWTI-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.05
Rot. Bonds

About 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile

5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile (PubChem CID 135473043) has the molecular formula C11H6N4O and a molecular weight of 210.20 g/mol. Its IUPAC name is 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
PubChem CID135473043
Molecular FormulaC11H6N4O
Molecular Weight210.20 g/mol
Exact Mass210.05
IUPAC Name5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C11H6N4O/c12-5-7-6-13-15-9-4-2-1-3-8(9)11(16)14-10(7)15/h1-4,6H,(H,14,16)
InChIKeyXPVNWXTVBDLWTI-UHFFFAOYSA-N
XLogP1.05
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The IUPAC name of 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile (CID 135473043) is 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The canonical SMILES for 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile is N#Cc1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The InChIKey is XPVNWXTVBDLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O/c12-5-7-6-13-15-9-4-2-1-3-8(9)11(16)14-10(7)15/h1-4,6H,(H,14,16).
What are the key properties of 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile has a molecular weight of 210.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 135473043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).