5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde O-(methyl)oxime

HCID 54529362
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Basic information

Standard SMILES
CON=Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O
InChIKey
YVKFJKFLBGMIBM-UHFFFAOYSA-N
Molecular formula
C13H11Cl2F3N4O2S
Average molar mass
415.2 g/mol
Monoisotopic mass
413.9931867

Names & identifiers

Preferred name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde O-(methyl)oxime
IUPAC
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(methoxyiminomethyl)-4-methylsulfinylpyrazol-5-amine

Names & synonyms

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde O-(methyl)oximeSCHEMBL7026118

Database identifiers

PubChem CID
54529362

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
25

Related reactions

4 records
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Compound notes

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