3'-(4-Fluoro-phenyl)-4-[1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-4-ylmethyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine hydrochloride

HCID 68596707
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Basic information

Standard SMILES
Cl.Fc1ccc(-c2nccnc2N2CCN(Cc3cnn(CC(F)(F)F)c3)CC2)cc1
InChIKey
PZVWAEACYGNFRL-UHFFFAOYSA-N
Molecular formula
C20H21ClF4N6
Average molar mass
456.9 g/mol

Names & identifiers

Preferred name
3'-(4-Fluoro-phenyl)-4-[1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-4-ylmethyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine hydrochloride
IUPAC
2-(4-fluorophenyl)-3-[4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine;hydrochloride

Names & synonyms

3'-(4-Fluoro-phenyl)-4-[1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-4-ylmethyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine hydrochlorideSCHEMBL3325774

Database identifiers

PubChem CID
68596707

Properties

Computed structural properties

Topological polar surface area
50.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
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Compound notes

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