4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide

HCID 4766142
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nn(C)c(C(N)=O)c1Br
InChIKey
PXBZPNUOEYENNK-UHFFFAOYSA-N
Molecular formula
C6H8BrN3O
Average molar mass
218.05 g/mol
Monoisotopic mass
216.98507

Names & identifiers

Preferred name
4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC
4-bromo-1,3-dimethylpyrazole-5-carboxamide

Names & synonyms

4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide1005641-22-44-bromo-2,5-dimethylpyrazole-3-carboxamideSCHEMBL15230652PXBZPNUOEYENNK-UHFFFAOYSA-NSTK302727AKOS0037444624-bromo-1,3-dimethylpyrazole-5-carboxamideDB-205613ST45065329

Database identifiers

PubChem CID
4766142

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Related reactions

1 records
New reaction record

Linked notes

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4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide (HCID 4766142)｜Huagongshe