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

C13H13F3N4 — CID 106231560

IUPACN-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CCC)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H13F3N4/c1-3-5-9(4-2)18-12-10-8-11(13(14,15)16)19-20(10)7-6-17-12/h2,6-9H,3,5H2,1H3,(H,17,18)
InChIKeyIWXYHSYQJXCCAN-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.96
Rot. Bonds4

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

N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106231560) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106231560
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CCC)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H13F3N4/c1-3-5-9(4-2)18-12-10-8-11(13(14,15)16)19-20(10)7-6-17-12/h2,6-9H,3,5H2,1H3,(H,17,18)
InChIKeyIWXYHSYQJXCCAN-UHFFFAOYSA-N
XLogP2.96
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271
2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
CID 104729355
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
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-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 114161412
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
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
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-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 106231560) is N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is C#CC(CCC)Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IWXYHSYQJXCCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-3-5-9(4-2)18-12-10-8-11(13(14,15)16)19-20(10)7-6-17-12/h2,6-9H,3,5H2,1H3,(H,17,18).
What are the key properties of N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106231560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).