2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one

C21H14N4O — CID 139237980

IUPAC2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(-c3ccccc3)c3ccccc3c-2nn1-c1ccccc1
InChIInChI=1S/C21H14N4O/c26-21-20-19(22-25(21)16-11-5-2-6-12-16)17-13-7-8-14-18(17)24(23-20)15-9-3-1-4-10-15/h1-14H
InChIKeyBBYZBVGWVJTHOS-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.68
Rot. Bonds2

About 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one

2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one (PubChem CID 139237980) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
PubChem CID139237980
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(-c3ccccc3)c3ccccc3c-2nn1-c1ccccc1
InChIInChI=1S/C21H14N4O/c26-21-20-19(22-25(21)16-11-5-2-6-12-16)17-13-7-8-14-18(17)24(23-20)15-9-3-1-4-10-15/h1-14H
InChIKeyBBYZBVGWVJTHOS-UHFFFAOYSA-N
XLogP3.68
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102190683
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3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
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4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
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1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918
4-tert-butyl-2-phenylphthalazin-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one (CID 139237980) is 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one is O=c1c2nn(-c3ccccc3)c3ccccc3c-2nn1-c1ccccc1.
What is the InChIKey of 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is BBYZBVGWVJTHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-21-20-19(22-25(21)16-11-5-2-6-12-16)17-13-7-8-14-18(17)24(23-20)15-9-3-1-4-10-15/h1-14H.
What are the key properties of 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one?
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 338.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 139237980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).