7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole

C6H8BrN3 — CID 83819465

IUPAC7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole
SMILESCN1CCn2ncc(Br)c21
InChIInChI=1S/C6H8BrN3/c1-9-2-3-10-6(9)5(7)4-8-10/h4H,2-3H2,1H3
InChIKeyWMZMFGZVTIQWJV-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.10
Rot. Bonds

About 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole

7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole (PubChem CID 83819465) has the molecular formula C6H8BrN3 and a molecular weight of 202.05 g/mol. Its IUPAC name is 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole
PubChem CID83819465
Molecular FormulaC6H8BrN3
Molecular Weight202.05 g/mol
Exact Mass200.99
IUPAC Name7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole
SMILESCN1CCn2ncc(Br)c21
InChIInChI=1S/C6H8BrN3/c1-9-2-3-10-6(9)5(7)4-8-10/h4H,2-3H2,1H3
InChIKeyWMZMFGZVTIQWJV-UHFFFAOYSA-N
XLogP1.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole?
The IUPAC name of 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole (CID 83819465) is 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole?
The canonical SMILES for 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole is CN1CCn2ncc(Br)c21.
What is the InChIKey of 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole?
The InChIKey is WMZMFGZVTIQWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-9-2-3-10-6(9)5(7)4-8-10/h4H,2-3H2,1H3.
What are the key properties of 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole?
7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole has a molecular weight of 202.05 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole is sourced from PubChem (CID 83819465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).