Basic information
- Standard SMILES
Nc1nccc(-c2c[nH]nc2-c2ccc(F)cc2)n1- InChIKey
NYRWXTSAJYLGJW-UHFFFAOYSA-N- Molecular formula
- C13H10FN5
- Average molar mass
- 255.25 g/mol
- Monoisotopic mass
- 255.0920235
Names & identifiers
- Preferred name
- 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyrimidinamine
- IUPAC
- 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL1645470SCHEMBL14519513NYRWXTSAJYLGJW-UHFFFAOYSA-N4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyrimidinamine
Database identifiers
- PubChem CID
- 22037322
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
13 records
Compound notes
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