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

C13H17F3N4 — CID 104730626

IUPACN-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)CC(C)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4/c1-8(2)6-9(3)18-12-10-7-11(13(14,15)16)19-20(10)5-4-17-12/h4-5,7-9H,6H2,1-3H3,(H,17,18)
InChIKeyIUUAWAZIYGBREC-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.59
Rot. Bonds4

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

N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730626) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730626
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)CC(C)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4/c1-8(2)6-9(3)18-12-10-7-11(13(14,15)16)19-20(10)5-4-17-12/h4-5,7-9H,6H2,1-3H3,(H,17,18)
InChIKeyIUUAWAZIYGBREC-UHFFFAOYSA-N
XLogP3.59
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344
1-N,1-N-dimethyl-2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104732002
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
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-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106231560
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
N-(4-chloro-2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734018

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730626) is N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)CC(C)Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IUUAWAZIYGBREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-8(2)6-9(3)18-12-10-7-11(13(14,15)16)19-20(10)5-4-17-12/h4-5,7-9H,6H2,1-3H3,(H,17,18).
What are the key properties of N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).