Basic information
- Standard SMILES
Fc1ccc(OCc2cc3n(n2)CCNC3)cc1- InChIKey
VRJJWHIRMGBDIO-UHFFFAOYSA-N- Molecular formula
- C13H14FN3O
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.11209024
Names & identifiers
- Preferred name
- 2-(4-Fluoro-phenoxymethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine
- IUPAC
- 2-[(4-fluorophenoxy)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Names & synonyms
SCHEMBL9900784VRJJWHIRMGBDIO-UHFFFAOYSA-N2-(4-fluoro-phenoxymethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine
Database identifiers
- PubChem CID
- 67958342
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Related reactions
2 records
Compound notes
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