1,2,5-triphenylpyrazol-3-one

C21H16N2O — CID 150178882

IUPAC1,2,5-triphenylpyrazol-3-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H
InChIKeyFKZLVPVXGNKAGI-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.30
Rot. Bonds3

About 1,2,5-triphenylpyrazol-3-one

1,2,5-triphenylpyrazol-3-one (PubChem CID 150178882) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,2,5-triphenylpyrazol-3-one.

Molecular Properties

Compound Name1,2,5-triphenylpyrazol-3-one
PubChem CID150178882
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1,2,5-triphenylpyrazol-3-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H
InChIKeyFKZLVPVXGNKAGI-UHFFFAOYSA-N
XLogP4.30
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,2-diphenylpyrazol-3-one
CID 802103
1,2,6-triphenylpyridin-4-one
CID 13088641
5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
CID 86211986
1,4,6-triphenylpyridin-2-one
CID 629600
1,6-diphenylpyridazin-4-one
CID 2311475
1,3,5-triphenylpyrazole
CID 626614
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776
5-[10-(5-oxo-1,2-diphenylpyrazol-3-yl)oxydecoxy]-1,2-diphenylpyrazol-3-one
CID 139627827
2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
CID 154131571
5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione
CID 15945911
1-methyl-2-phenyl-5-(sulfanylmethyl)pyrazol-3-one
CID 121006163

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triphenylpyrazol-3-one?
The IUPAC name of 1,2,5-triphenylpyrazol-3-one (CID 150178882) is 1,2,5-triphenylpyrazol-3-one.
What is the SMILES notation for 1,2,5-triphenylpyrazol-3-one?
The canonical SMILES for 1,2,5-triphenylpyrazol-3-one is O=c1cc(-c2ccccc2)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 1,2,5-triphenylpyrazol-3-one?
The InChIKey is FKZLVPVXGNKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 1,2,5-triphenylpyrazol-3-one?
1,2,5-triphenylpyrazol-3-one has a molecular weight of 312.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-triphenylpyrazol-3-one is sourced from PubChem (CID 150178882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).