2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

C10H9F3N4O2 — CID 104729656

IUPAC2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1nccn2nccc12
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)6-16(5-8(18)19)9-7-1-2-15-17(7)4-3-14-9/h1-4H,5-6H2,(H,18,19)
InChIKeyDXQFUKFPIJOFNM-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.18
Rot. Bonds4

About 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 104729656) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID104729656
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1nccn2nccc12
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)6-16(5-8(18)19)9-7-1-2-15-17(7)4-3-14-9/h1-4H,5-6H2,(H,18,19)
InChIKeyDXQFUKFPIJOFNM-UHFFFAOYSA-N
XLogP1.18
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 104729656) is 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)c1nccn2nccc12.
What is the InChIKey of 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DXQFUKFPIJOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c11-10(12,13)6-16(5-8(18)19)9-7-1-2-15-17(7)4-3-14-9/h1-4H,5-6H2,(H,18,19).
What are the key properties of 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 274.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrazolo[1,5-a]pyrazin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 104729656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).