2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine

C16H24N4O — CID 114468923

IUPAC2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=C(C)COCCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N4O/c1-12(2)11-21-9-7-18-15-13-10-14(16(3,4)5)19-20(13)8-6-17-15/h6,8,10H,1,7,9,11H2,2-5H3,(H,17,18)
InChIKeyUGDYZZHCAXQSQR-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.03
Rot. Bonds6

About 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 114468923) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID114468923
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=C(C)COCCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N4O/c1-12(2)11-21-9-7-18-15-13-10-14(16(3,4)5)19-20(13)8-6-17-15/h6,8,10H,1,7,9,11H2,2-5H3,(H,17,18)
InChIKeyUGDYZZHCAXQSQR-UHFFFAOYSA-N
XLogP3.03
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
N-(4-methoxybutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731181
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 114468923) is 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine is C=C(C)COCCNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is UGDYZZHCAXQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)11-21-9-7-18-15-13-10-14(16(3,4)5)19-20(13)8-6-17-15/h6,8,10H,1,7,9,11H2,2-5H3,(H,17,18).
What are the key properties of 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 114468923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).