2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine

C15H20N4 — CID 116644524

IUPAC2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC#CCCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H20N4/c1-5-6-7-8-16-14-12-11-13(15(2,3)4)18-19(12)10-9-17-14/h9-11H,7-8H2,1-4H3,(H,16,17)
InChIKeyGWKFUXVPQUFINS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds3

About 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 116644524) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID116644524
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC#CCCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H20N4/c1-5-6-7-8-16-14-12-11-13(15(2,3)4)18-19(12)10-9-17-14/h9-11H,7-8H2,1-4H3,(H,16,17)
InChIKeyGWKFUXVPQUFINS-UHFFFAOYSA-N
XLogP2.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
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
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine (CID 116644524) is 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine is CC#CCCNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GWKFUXVPQUFINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-6-7-8-16-14-12-11-13(15(2,3)4)18-19(12)10-9-17-14/h9-11H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 116644524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).