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

HCID 59345352
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Basic information

Standard SMILES
Fc1ccc(-c2n[nH]c3c2CCOC3)cc1F
InChIKey
NVWLEDSWZFUYOU-UHFFFAOYSA-N
Molecular formula
C12H10F2N2O
Average molar mass
236.22 g/mol

Names & identifiers

Preferred name
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
IUPAC
3-(3,4-difluorophenyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole

Names & synonyms

SCHEMBL1337781NVWLEDSWZFUYOU-UHFFFAOYSA-N3-(3,4-difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

Database identifiers

PubChem CID
59345352

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
37.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Related reactions

4 records
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Compound notes

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