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

C14H18N4 — CID 114161412

IUPACN-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CC)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H18N4/c1-5-11(6-2)16-14-13-9-12(10(3)4)17-18(13)8-7-15-14/h1,7-11H,6H2,2-4H3,(H,15,16)
InChIKeyNOCQFGPFGYRYKT-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.68
Rot. Bonds4

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

N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 114161412) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID114161412
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC#CC(CC)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H18N4/c1-5-11(6-2)16-14-13-9-12(10(3)4)17-18(13)8-7-15-14/h1,7-11H,6H2,2-4H3,(H,15,16)
InChIKeyNOCQFGPFGYRYKT-UHFFFAOYSA-N
XLogP2.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 114161412) is N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is C#CC(CC)Nc1nccn2nc(C(C)C)cc12.
What is the InChIKey of N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NOCQFGPFGYRYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-5-11(6-2)16-14-13-9-12(10(3)4)17-18(13)8-7-15-14/h1,7-11H,6H2,2-4H3,(H,15,16).
What are the key properties of N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 114161412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).