N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine

C13H18F3N5 — CID 104731247

IUPACN',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
SMILESCN(C)CCCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H18F3N5/c1-20(2)7-4-3-5-17-12-10-9-11(13(14,15)16)19-21(10)8-6-18-12/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyGNLHXSWJVXXOLW-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.50
Rot. Bonds6

About N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine

N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine (PubChem CID 104731247) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
PubChem CID104731247
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC NameN',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
SMILESCN(C)CCCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H18F3N5/c1-20(2)7-4-3-5-17-12-10-9-11(13(14,15)16)19-21(10)8-6-18-12/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyGNLHXSWJVXXOLW-UHFFFAOYSA-N
XLogP2.50
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.50
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-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N-(4-methoxybutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731181
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
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
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
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
N-(2-methoxyethyl)-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104732852

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine (CID 104731247) is N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine is CN(C)CCCCNc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine?
The InChIKey is GNLHXSWJVXXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-20(2)7-4-3-5-17-12-10-9-11(13(14,15)16)19-21(10)8-6-18-12/h6,8-9H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine?
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine has a molecular weight of 301.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine is sourced from PubChem (CID 104731247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).