2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C11H19N3 — CID 131991238

IUPAC2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCCC(C)c1cc2n(n1)CCNC2
InChIInChI=1S/C11H19N3/c1-3-4-9(2)11-7-10-8-12-5-6-14(10)13-11/h7,9,12H,3-6,8H2,1-2H3
InChIKeyXLHBDJKEKSNWCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds3

About 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 131991238) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID131991238
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCCC(C)c1cc2n(n1)CCNC2
InChIInChI=1S/C11H19N3/c1-3-4-9(2)11-7-10-8-12-5-6-14(10)13-11/h7,9,12H,3-6,8H2,1-2H3
InChIKeyXLHBDJKEKSNWCH-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 131991238) is 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CCCC(C)c1cc2n(n1)CCNC2.
What is the InChIKey of 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is XLHBDJKEKSNWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-9(2)11-7-10-8-12-5-6-14(10)13-11/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 193.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 131991238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).