N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C15H20N4O — CID 104731922

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CC4CCC3O4)nccn2n1
InChIInChI=1S/C15H20N4O/c1-9(2)11-8-13-15(16-5-6-19(13)18-11)17-12-7-10-3-4-14(12)20-10/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyGZJGPHZRYUASPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds3

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731922) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731922
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CC4CCC3O4)nccn2n1
InChIInChI=1S/C15H20N4O/c1-9(2)11-8-13-15(16-5-6-19(13)18-11)17-12-7-10-3-4-14(12)20-10/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyGZJGPHZRYUASPW-UHFFFAOYSA-N
XLogP2.58
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731922) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NC3CC4CCC3O4)nccn2n1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GZJGPHZRYUASPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)11-8-13-15(16-5-6-19(13)18-11)17-12-7-10-3-4-14(12)20-10/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).