4-Bromo-3,5-dimethyl-1-[(3-methyl-3-oxetanyl)methyl]-1H-pyrazole

HCID 89782826
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nn(CC2(C)COC2)c(C)c1Br
InChIKey
OMKHMDSOLACWLP-UHFFFAOYSA-N
Molecular formula
C10H15BrN2O
Average molar mass
259.14 g/mol

Names & identifiers

Preferred name
4-Bromo-3,5-dimethyl-1-[(3-methyl-3-oxetanyl)methyl]-1H-pyrazole
IUPAC
4-bromo-3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazole

Names & synonyms

SCHEMBL15229842OMKHMDSOLACWLP-UHFFFAOYSA-NDB-1673354-bromo-3,5-dimethyl-1-((3-methyloxetan-3-yl)methyl)-1H-pyrazole4-Bromo-3,5-dimethyl-1-[(3-methyl-3-oxetanyl)methyl]-1H-pyrazole1454301-34-8

Database identifiers

PubChem CID
89782826

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
New reaction record

Linked notes

Loading…