3-(2-Chloro-5-fluoro-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

HCID 124155319
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Basic information

Standard SMILES
CC1(C)Cc2c(-c3cc(Cl)ncc3F)cnn2C1
InChIKey
IHTIHQJTGYDRKU-UHFFFAOYSA-N
Molecular formula
C13H13ClFN3
Average molar mass
265.71 g/mol

Names & identifiers

Preferred name
3-(2-Chloro-5-fluoro-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
IUPAC
3-(2-chloro-5-fluoro-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

Names & synonyms

SCHEMBL18338545

Database identifiers

PubChem CID
124155319

Properties

Computed structural properties

XLogP
3
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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