2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one

C14H9N3OS — CID 135939587

IUPAC2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3cccs3)nn2c2ccccc12
InChIInChI=1S/C14H9N3OS/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)
InChIKeyQUSNKXLHGMLKDK-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.90
Rot. Bonds1

About 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one

2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939587) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939587
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3cccs3)nn2c2ccccc12
InChIInChI=1S/C14H9N3OS/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)
InChIKeyQUSNKXLHGMLKDK-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-2-yl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 137004242
2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 137103510
7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026105
2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939646
2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939601
2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 112708336
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
CID 12964793
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
7-[(3-fluorophenyl)methylsulfanyl]-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50786557
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
1-methyl-3-thiophen-2-ylindazole
CID 57338749

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939587) is 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3cccs3)nn2c2ccccc12.
What is the InChIKey of 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is QUSNKXLHGMLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/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-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 267.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).