3-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

HCID 59345342
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Basic information

Standard SMILES
Fc1cc(F)c(-c2n[nH]c3c2CCOC3)cc1F
InChIKey
FBRKCFNQOIDGQZ-UHFFFAOYSA-N
Molecular formula
C12H9F3N2O
Average molar mass
254.21 g/mol

Names & identifiers

Preferred name
3-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
IUPAC
3-(2,4,5-trifluorophenyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole

Names & synonyms

SCHEMBL1337669FBRKCFNQOIDGQZ-UHFFFAOYSA-N3-(2,4,5-trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

Database identifiers

PubChem CID
59345342

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
37.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
18

Related reactions

4 records
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Compound notes

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