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

C13H17F3N4O — CID 104730942

IUPACN-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCOCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4O/c1-2-3-7-21-8-5-18-12-10-9-11(13(14,15)16)19-20(10)6-4-17-12/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,18)
InChIKeyGOUUCDKVCPCYFK-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.98
Rot. Bonds7

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

N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730942) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730942
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCOCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4O/c1-2-3-7-21-8-5-18-12-10-9-11(13(14,15)16)19-20(10)6-4-17-12/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,18)
InChIKeyGOUUCDKVCPCYFK-UHFFFAOYSA-N
XLogP2.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446302
N-(4-methoxybutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731181
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
N-(2-methoxyethyl)-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104732852
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
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
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730942) is N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CCCCOCCNc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GOUUCDKVCPCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-3-7-21-8-5-18-12-10-9-11(13(14,15)16)19-20(10)6-4-17-12/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 302.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).