Basic information
- Standard SMILES
Cn1ncc(Br)c1Nc1cccc(-c2ccccc2)n1- InChIKey
MHJLASIXBALNCT-UHFFFAOYSA-N- Molecular formula
- C15H13BrN4
- Average molar mass
- 329.19 g/mol
- Monoisotopic mass
- 328.03236
Names & identifiers
- Preferred name
- (4-Bromo-2-methyl-2H-pyrazol-3-yl)-(6-phenyl-pyridin-2-yl)-amine
- IUPAC
- N-(4-bromo-1-methylpyrazol-5-yl)-6-phenylpyridin-2-amine
Names & synonyms
SCHEMBL9899977MHJLASIXBALNCT-UHFFFAOYSA-N(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(6-phenyl-pyridin-2-yl)-amine
Database identifiers
- PubChem CID
- 67957971
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
2 records
Compound notes
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