7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

C11H6FN3O3 — CID 135723015

IUPAC7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESO=C(O)c1cnn2c1[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C11H6FN3O3/c12-5-1-2-8-6(3-5)10(16)14-9-7(11(17)18)4-13-15(8)9/h1-4H,(H,14,16)(H,17,18)
InChIKeyDYWXVWWHYYLMKC-UHFFFAOYSA-N
MW247.19 g/mol
LogP1.01
Rot. Bonds1

About 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (PubChem CID 135723015) has the molecular formula C11H6FN3O3 and a molecular weight of 247.19 g/mol. Its IUPAC name is 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
PubChem CID135723015
Molecular FormulaC11H6FN3O3
Molecular Weight247.19 g/mol
Exact Mass247.04
IUPAC Name7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESO=C(O)c1cnn2c1[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C11H6FN3O3/c12-5-1-2-8-6(3-5)10(16)14-9-7(11(17)18)4-13-15(8)9/h1-4H,(H,14,16)(H,17,18)
InChIKeyDYWXVWWHYYLMKC-UHFFFAOYSA-N
XLogP1.01
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (CID 135723015) is 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is O=C(O)c1cnn2c1[nH]c(=O)c1cc(F)ccc12.
What is the InChIKey of 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The InChIKey is DYWXVWWHYYLMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O3/c12-5-1-2-8-6(3-5)10(16)14-9-7(11(17)18)4-13-15(8)9/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid has a molecular weight of 247.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is sourced from PubChem (CID 135723015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).