Basic information
- CAS
1534350-45-2- Standard SMILES
Cn1cc(-c2cccc(-c3ncc(Br)cn3)c2)cn1- InChIKey
JUTVJFXARVODDO-UHFFFAOYSA-N- Molecular formula
- C14H11BrN4
- Average molar mass
- 315.17 g/mol
- Monoisotopic mass
- 314.01671
Names & identifiers
- Preferred name
- 5-bromo-2-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrimidine
- IUPAC
- 5-bromo-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine
Names & synonyms
5-bromo-2-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrimidineSCHEMBL15415744JUTVJFXARVODDO-UHFFFAOYSA-NDTXSID7012025451534350-45-2
Database identifiers
- CAS
1534350-45-2- PubChem CID
- 89923976
- DTXSID
DTXSID701202545
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
2 records
Compound notes
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