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

C12H15F3N4 — CID 104731373

IUPACN-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(C)CNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H15F3N4/c1-3-8(2)7-17-11-9-6-10(12(13,14)15)18-19(9)5-4-16-11/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyQTFAVXHXPFRWTH-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.21
Rot. Bonds4

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

N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731373) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731373
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(C)CNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H15F3N4/c1-3-8(2)7-17-11-9-6-10(12(13,14)15)18-19(9)5-4-16-11/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyQTFAVXHXPFRWTH-UHFFFAOYSA-N
XLogP3.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731373) is N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CCC(C)CNc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is QTFAVXHXPFRWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-3-8(2)7-17-11-9-6-10(12(13,14)15)18-19(9)5-4-16-11/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 272.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).