2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine

C9H10F2N4 — CID 103117587

IUPAC2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnn2ccncc12
InChIInChI=1S/C9H10F2N4/c10-9(11)6-13-3-7-4-14-15-2-1-12-5-8(7)15/h1-2,4-5,9,13H,3,6H2
InChIKeyQWXOAJKISLQJFE-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.08
Rot. Bonds4

About 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine

2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine (PubChem CID 103117587) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine
PubChem CID103117587
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnn2ccncc12
InChIInChI=1S/C9H10F2N4/c10-9(11)6-13-3-7-4-14-15-2-1-12-5-8(7)15/h1-2,4-5,9,13H,3,6H2
InChIKeyQWXOAJKISLQJFE-UHFFFAOYSA-N
XLogP1.08
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine (CID 103117587) is 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine is FC(F)CNCc1cnn2ccncc12.
What is the InChIKey of 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine?
The InChIKey is QWXOAJKISLQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-9(11)6-13-3-7-4-14-15-2-1-12-5-8(7)15/h1-2,4-5,9,13H,3,6H2.
What are the key properties of 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine?
2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine has a molecular weight of 212.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 103117587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).