2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine

C9H7F3N4 — CID 90924652

IUPAC2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine
SMILESFC(F)(F)Cn1nccc1-c1cnccn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-16-8(1-2-15-16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyOFEJXSNDDKYBGO-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.90
Rot. Bonds2

About 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine

2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine (PubChem CID 90924652) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine
PubChem CID90924652
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine
SMILESFC(F)(F)Cn1nccc1-c1cnccn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-16-8(1-2-15-16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyOFEJXSNDDKYBGO-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine (CID 90924652) is 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine is FC(F)(F)Cn1nccc1-c1cnccn1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine?
The InChIKey is OFEJXSNDDKYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)6-16-8(1-2-15-16)7-5-13-3-4-14-7/h1-5H,6H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine?
2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine has a molecular weight of 228.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazine is sourced from PubChem (CID 90924652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).