1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine

C11H12F3N5 — CID 104732329

IUPAC1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
SMILESNC1CC(Nc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-5-8-10(16-1-2-19(8)18-9)17-7-3-6(15)4-7/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyGZSZESGFUZYLOA-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.65
Rot. Bonds2

About 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine

1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine (PubChem CID 104732329) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
PubChem CID104732329
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
SMILESNC1CC(Nc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-5-8-10(16-1-2-19(8)18-9)17-7-3-6(15)4-7/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyGZSZESGFUZYLOA-UHFFFAOYSA-N
XLogP1.65
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine (CID 104732329) is 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine is NC1CC(Nc2nccn3nc(C(F)(F)F)cc23)C1.
What is the InChIKey of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine?
The InChIKey is GZSZESGFUZYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)9-5-8-10(16-1-2-19(8)18-9)17-7-3-6(15)4-7/h1-2,5-7H,3-4,15H2,(H,16,17).
What are the key properties of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine?
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine has a molecular weight of 271.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 104732329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).