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

C15H20N4 — CID 106231271

IUPAC2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CC)Nc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H20N4/c1-6-11(7-2)17-14-12-10-13(15(3,4)5)18-19(12)9-8-16-14/h1,8-11H,7H2,2-5H3,(H,16,17)
InChIKeyDPRLKTLVYUSDJO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds3

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

2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106231271) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106231271
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CC)Nc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H20N4/c1-6-11(7-2)17-14-12-10-13(15(3,4)5)18-19(12)9-8-16-14/h1,8-11H,7H2,2-5H3,(H,16,17)
InChIKeyDPRLKTLVYUSDJO-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 114161412
2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732617
N-hex-1-yn-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106231560
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 113480150
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
2-tert-butyl-N-[3-(chloromethyl)pentan-3-yl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733983

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 106231271) is 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine is C#CC(CC)Nc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DPRLKTLVYUSDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-6-11(7-2)17-14-12-10-13(15(3,4)5)18-19(12)9-8-16-14/h1,8-11H,7H2,2-5H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[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-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).