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

C13H8N4O2 — CID 135747029

IUPAC2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESCC(=O)c1nn2c([nH]c(=O)c3ccccc32)c1C#N
InChIInChI=1S/C13H8N4O2/c1-7(18)11-9(6-14)12-15-13(19)8-4-2-3-5-10(8)17(12)16-11/h2-5H,1H3,(H,15,19)
InChIKeyLFWAQKIICMONIV-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.25
Rot. Bonds1

About 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile

2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile (PubChem CID 135747029) has the molecular formula C13H8N4O2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
PubChem CID135747029
Molecular FormulaC13H8N4O2
Molecular Weight252.23 g/mol
Exact Mass252.06
IUPAC Name2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESCC(=O)c1nn2c([nH]c(=O)c3ccccc32)c1C#N
InChIInChI=1S/C13H8N4O2/c1-7(18)11-9(6-14)12-15-13(19)8-4-2-3-5-10(8)17(12)16-11/h2-5H,1H3,(H,15,19)
InChIKeyLFWAQKIICMONIV-UHFFFAOYSA-N
XLogP1.25
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzoyl-3,6-dioxo-5H-pyridazino[1,6-a]quinazoline-4-carbonitrile
CID 102015042
10-nitro-5,12-dioxo-6H-isoquinolino[2,3-a]quinazoline-7-carbonitrile
CID 10860531
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
1-acetyl-2-chloroindole-3-carbonitrile
CID 67060642
3-(3-acetylindazol-1-yl)propanenitrile
CID 132942081
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 137103510
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
4-hydroxy-6-methyl-2,5-dioxo-3H-benzo[c][2,7]naphthyridine-1-carbonitrile
CID 136666263
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
(2S)-3-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]butanoic acid
CID 137010260

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The IUPAC name of 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile (CID 135747029) is 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The canonical SMILES for 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile is CC(=O)c1nn2c([nH]c(=O)c3ccccc32)c1C#N.
What is the InChIKey of 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
The InChIKey is LFWAQKIICMONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2/c1-7(18)11-9(6-14)12-15-13(19)8-4-2-3-5-10(8)17(12)16-11/h2-5H,1H3,(H,15,19).
What are the key properties of 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile?
2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile has a molecular weight of 252.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 135747029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).