3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol

C12H13F3N4O — CID 104731784

IUPAC3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)10-5-9-11(16-1-2-19(9)18-10)17-6-7-3-8(20)4-7/h1-2,5,7-8,20H,3-4,6H2,(H,16,17)
InChIKeyZJCVCFDFVAEKPT-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.93
Rot. Bonds3

About 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 104731784) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID104731784
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)10-5-9-11(16-1-2-19(9)18-10)17-6-7-3-8(20)4-7/h1-2,5,7-8,20H,3-4,6H2,(H,16,17)
InChIKeyZJCVCFDFVAEKPT-UHFFFAOYSA-N
XLogP1.93
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734009
3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106127769
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
CID 104732329
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
2-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106215074
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732524
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
CID 104729415

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol (CID 104731784) is 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol is OC1CC(CNc2nccn3nc(C(F)(F)F)cc23)C1.
What is the InChIKey of 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is ZJCVCFDFVAEKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)10-5-9-11(16-1-2-19(9)18-10)17-6-7-3-8(20)4-7/h1-2,5,7-8,20H,3-4,6H2,(H,16,17).
What are the key properties of 3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 286.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 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]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 104731784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).