4,5-dihydro-1-(4-methylphenyl]-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazole

HCID 9929869
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Basic information

Standard SMILES
Cc1ccc(N2N=C(C(F)(F)F)CC2c2ccc(S(C)(=O)=O)cc2)cc1
InChIKey
BQMJBDAPQSEBHC-UHFFFAOYSA-N
Molecular formula
C18H17F3N2O2S
Average molar mass
382.4 g/mol

Names & identifiers

Preferred name
4,5-dihydro-1-(4-methylphenyl]-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazole
IUPAC
2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole

Names & synonyms

4,5-dihydro-1-(4-methylphenyl]-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazoleSCHEMBL5693256

Database identifiers

PubChem CID
9929869

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
58.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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