5-(fluoromethyl)-1,2-diphenylpyrazol-3-one

C16H13FN2O — CID 86211986

IUPAC5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
SMILESO=c1cc(CF)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-12-15-11-16(20)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyIBNFAJSFPUGLTG-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.10
Rot. Bonds3

About 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one

5-(fluoromethyl)-1,2-diphenylpyrazol-3-one (PubChem CID 86211986) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one.

Molecular Properties

Compound Name5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
PubChem CID86211986
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
SMILESO=c1cc(CF)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-12-15-11-16(20)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyIBNFAJSFPUGLTG-UHFFFAOYSA-N
XLogP3.10
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,2-diphenylpyrazol-3-one
CID 802103
1-methyl-2-phenyl-5-(sulfanylmethyl)pyrazol-3-one
CID 121006163
1,2,5-triphenylpyrazol-3-one
CID 150178882
5-[10-(5-oxo-1,2-diphenylpyrazol-3-yl)oxydecoxy]-1,2-diphenylpyrazol-3-one
CID 139627827
2,2,2-trifluoro-N-[2-(2-methyl-5-oxo-1-phenylpyrazol-3-yl)ethyl]acetamide
CID 118332106
2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
5-[2-(4-hydroxyphenoxy)ethoxy]-1,2-diphenylpyrazol-3-one
CID 139627834
3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
CID 154131571
4-iodo-1-methyl-2-phenylpyrazol-3-one
CID 134097114
5-cyclobutyl-1-methyl-2-phenylpyrazol-3-one
CID 68679673
5-fluoro-2-phenyl-1H-pyrazol-3-one
CID 155895443
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one?
The IUPAC name of 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one (CID 86211986) is 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one.
What is the SMILES notation for 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one?
The canonical SMILES for 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one is O=c1cc(CF)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one?
The InChIKey is IBNFAJSFPUGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-12-15-11-16(20)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one?
5-(fluoromethyl)-1,2-diphenylpyrazol-3-one has a molecular weight of 268.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,2-diphenylpyrazol-3-one is sourced from PubChem (CID 86211986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).