3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine

C10H11F3N4O — CID 104733481

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine
SMILESNCCCOc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-6-7-9(18-5-1-2-14)15-3-4-17(7)16-8/h3-4,6H,1-2,5,14H2
InChIKeyUYTJBJWUPWGLFG-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.48
Rot. Bonds4

About 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine (PubChem CID 104733481) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine
PubChem CID104733481
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine
SMILESNCCCOc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-6-7-9(18-5-1-2-14)15-3-4-17(7)16-8/h3-4,6H,1-2,5,14H2
InChIKeyUYTJBJWUPWGLFG-UHFFFAOYSA-N
XLogP1.48
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine (CID 104733481) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine is NCCCOc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine?
The InChIKey is UYTJBJWUPWGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)8-6-7-9(18-5-1-2-14)15-3-4-17(7)16-8/h3-4,6H,1-2,5,14H2.
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine has a molecular weight of 260.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 104733481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).