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

C6H8BrN3 — CID 84670414

IUPAC2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESBrc1cc2n(n1)CCNC2
InChIInChI=1S/C6H8BrN3/c7-6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2
InChIKeyGJGLPTBKEKACKU-UHFFFAOYSA-N
MW202.05 g/mol
LogP0.75
Rot. Bonds

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

2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 84670414) has the molecular formula C6H8BrN3 and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID84670414
Molecular FormulaC6H8BrN3
Molecular Weight202.05 g/mol
Exact Mass200.99
IUPAC Name2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESBrc1cc2n(n1)CCNC2
InChIInChI=1S/C6H8BrN3/c7-6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2
InChIKeyGJGLPTBKEKACKU-UHFFFAOYSA-N
XLogP0.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 84670414) is 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Brc1cc2n(n1)CCNC2.
What is the InChIKey of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is GJGLPTBKEKACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2.
What are the key properties of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 202.05 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 84670414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).