1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone

C11H8F3N3O — CID 83120150

IUPAC1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H8F3N3O/c1-7(18)9-3-2-8(6-15-9)17-5-4-10(16-17)11(12,13)14/h2-6H,1H3
InChIKeyKDVBDXBNKREILY-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.49
Rot. Bonds2

About 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone

1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone (PubChem CID 83120150) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone
PubChem CID83120150
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H8F3N3O/c1-7(18)9-3-2-8(6-15-9)17-5-4-10(16-17)11(12,13)14/h2-6H,1H3
InChIKeyKDVBDXBNKREILY-UHFFFAOYSA-N
XLogP2.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone (CID 83120150) is 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone is CC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone?
The InChIKey is KDVBDXBNKREILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-7(18)9-3-2-8(6-15-9)17-5-4-10(16-17)11(12,13)14/h2-6H,1H3.
What are the key properties of 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone?
1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone has a molecular weight of 255.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 83120150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).