2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one

C17H11FN4O2 — CID 70961911

IUPAC2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one
SMILESCC(=O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C17H11FN4O2/c1-9(23)10-5-7-11(8-6-10)22-17(24)16-15(21-22)12-3-2-4-13(18)14(12)19-20-16/h2-8,21H,1H3
InChIKeyDZKTWPJVLFHXSX-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one

2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 70961911) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one
PubChem CID70961911
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one
SMILESCC(=O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C17H11FN4O2/c1-9(23)10-5-7-11(8-6-10)22-17(24)16-15(21-22)12-3-2-4-13(18)14(12)19-20-16/h2-8,21H,1H3
InChIKeyDZKTWPJVLFHXSX-UHFFFAOYSA-N
XLogP2.60
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one (CID 70961911) is 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one is CC(=O)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is DZKTWPJVLFHXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c1-9(23)10-5-7-11(8-6-10)22-17(24)16-15(21-22)12-3-2-4-13(18)14(12)19-20-16/h2-8,21H,1H3.
What are the key properties of 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one?
2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 322.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-6-fluoro-1H-pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 70961911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).