1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone

C10H8FN3O — CID 122445413

IUPAC1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14/h2-6H,1H3
InChIKeyRZSBWJWWGZZASY-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.61
Rot. Bonds2

About 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone

1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone (PubChem CID 122445413) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
PubChem CID122445413
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14/h2-6H,1H3
InChIKeyRZSBWJWWGZZASY-UHFFFAOYSA-N
XLogP1.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone (CID 122445413) is 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The InChIKey is RZSBWJWWGZZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14/h2-6H,1H3.
What are the key properties of 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone has a molecular weight of 205.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 122445413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).