2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

C8H8F3N3O — CID 130973462

IUPAC2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(N1CCc2[nH]ncc2C1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(15)14-2-1-6-5(4-14)3-12-13-6/h3H,1-2,4H2,(H,12,13)
InChIKeyKNDNNYHVKIYIJW-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.86
Rot. Bonds

About 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 130973462) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID130973462
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(N1CCc2[nH]ncc2C1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(15)14-2-1-6-5(4-14)3-12-13-6/h3H,1-2,4H2,(H,12,13)
InChIKeyKNDNNYHVKIYIJW-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 130973462) is 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(N1CCc2[nH]ncc2C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is KNDNNYHVKIYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)7(15)14-2-1-6-5(4-14)3-12-13-6/h3H,1-2,4H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 219.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 130973462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).