2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine

C14H22N4O — CID 104733456

IUPAC2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine
SMILESCNCC(C)Oc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H22N4O/c1-10(9-15-5)19-13-11-8-12(14(2,3)4)17-18(11)7-6-16-13/h6-8,10,15H,9H2,1-5H3
InChIKeyIIEYYIFOUYYSMU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine

2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine (PubChem CID 104733456) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine
PubChem CID104733456
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine
SMILESCNCC(C)Oc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H22N4O/c1-10(9-15-5)19-13-11-8-12(14(2,3)4)17-18(11)7-6-16-13/h6-8,10,15H,9H2,1-5H3
InChIKeyIIEYYIFOUYYSMU-UHFFFAOYSA-N
XLogP2.01
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine (CID 104733456) is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine is CNCC(C)Oc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine?
The InChIKey is IIEYYIFOUYYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(9-15-5)19-13-11-8-12(14(2,3)4)17-18(11)7-6-16-13/h6-8,10,15H,9H2,1-5H3.
What are the key properties of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine?
2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 104733456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).