4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one

C9H6F3N3O — CID 145437201

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-n2ccc(C(F)(F)F)n2)cc[nH]1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-2-4-15(14-7)6-1-3-13-8(16)5-6/h1-5H,(H,13,16)
InChIKeyWTJYJLBXLKMFNR-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.58
Rot. Bonds1

About 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one

4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one (PubChem CID 145437201) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
PubChem CID145437201
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-n2ccc(C(F)(F)F)n2)cc[nH]1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-2-4-15(14-7)6-1-3-13-8(16)5-6/h1-5H,(H,13,16)
InChIKeyWTJYJLBXLKMFNR-UHFFFAOYSA-N
XLogP1.58
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
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1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
[4-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287576
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CID 90985717
5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 136984723
6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
CID 86001995
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 63372117
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
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1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 142641849

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one (CID 145437201) is 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one is O=c1cc(-n2ccc(C(F)(F)F)n2)cc[nH]1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The InChIKey is WTJYJLBXLKMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)7-2-4-15(14-7)6-1-3-13-8(16)5-6/h1-5H,(H,13,16).
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one has a molecular weight of 229.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 145437201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).