2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine

C13H11FN6 — CID 166367901

IUPAC2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine
SMILESCCn1ncc(-c2cnc(-c3ncccn3)cn2)c1F
InChIInChI=1S/C13H11FN6/c1-2-20-12(14)9(6-19-20)10-7-18-11(8-17-10)13-15-4-3-5-16-13/h3-8H,2H2,1H3
InChIKeyOAAIERKUNCUBQJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.96
Rot. Bonds3

About 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine

2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine (PubChem CID 166367901) has the molecular formula C13H11FN6 and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine.

Molecular Properties

Compound Name2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine
PubChem CID166367901
Molecular FormulaC13H11FN6
Molecular Weight270.27 g/mol
Exact Mass270.10
IUPAC Name2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine
SMILESCCn1ncc(-c2cnc(-c3ncccn3)cn2)c1F
InChIInChI=1S/C13H11FN6/c1-2-20-12(14)9(6-19-20)10-7-18-11(8-17-10)13-15-4-3-5-16-13/h3-8H,2H2,1H3
InChIKeyOAAIERKUNCUBQJ-UHFFFAOYSA-N
XLogP1.96
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine?
The IUPAC name of 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine (CID 166367901) is 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine.
What is the SMILES notation for 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine?
The canonical SMILES for 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine is CCn1ncc(-c2cnc(-c3ncccn3)cn2)c1F.
What is the InChIKey of 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine?
The InChIKey is OAAIERKUNCUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6/c1-2-20-12(14)9(6-19-20)10-7-18-11(8-17-10)13-15-4-3-5-16-13/h3-8H,2H2,1H3.
What are the key properties of 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine?
2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine has a molecular weight of 270.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-fluoropyrazol-4-yl)-5-pyrimidin-2-ylpyrazine is sourced from PubChem (CID 166367901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).