2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine

C9H9F3N4O — CID 113446572

IUPAC2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine
SMILESNCCOc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-5-6-8(17-4-1-13)14-2-3-16(6)15-7/h2-3,5H,1,4,13H2
InChIKeyKBNULHSKAGSEJG-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine

2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine (PubChem CID 113446572) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine
PubChem CID113446572
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine
SMILESNCCOc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-5-6-8(17-4-1-13)14-2-3-16(6)15-7/h2-3,5H,1,4,13H2
InChIKeyKBNULHSKAGSEJG-UHFFFAOYSA-N
XLogP1.09
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine (CID 113446572) is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine is NCCOc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine?
The InChIKey is KBNULHSKAGSEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)7-5-6-8(17-4-1-13)14-2-3-16(6)15-7/h2-3,5H,1,4,13H2.
What are the key properties of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine?
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine has a molecular weight of 246.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethanamine is sourced from PubChem (CID 113446572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).