2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C15H24N4 — CID 104731079

IUPAC2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCCCC(C)Nc1nccn2nc(C)cc12
InChIInChI=1S/C15H24N4/c1-4-5-6-7-8-12(2)17-15-14-11-13(3)18-19(14)10-9-16-15/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyAGIQSROUGFZUBC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.81
Rot. Bonds7

About 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731079) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731079
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCCCC(C)Nc1nccn2nc(C)cc12
InChIInChI=1S/C15H24N4/c1-4-5-6-7-8-12(2)17-15-14-11-13(3)18-19(14)10-9-16-15/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyAGIQSROUGFZUBC-UHFFFAOYSA-N
XLogP3.81
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731642
N-(1-ethoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446324
2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732620
N-[1-(4-ethylphenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730850
N-(2-butoxyethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446302
N-(2,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731637
1-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,2-diamine
CID 104732536
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
2,3-dimethyl-2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732818
2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 107849242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731079) is 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CCCCCCC(C)Nc1nccn2nc(C)cc12.
What is the InChIKey of 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is AGIQSROUGFZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-5-6-7-8-12(2)17-15-14-11-13(3)18-19(14)10-9-16-15/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).