4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole

HCID 15380221

Notes Reactions

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Basic information

Standard SMILES: CSc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIKey: NTCZRPUJIGWKOO-UHFFFAOYSA-N
Molecular formula: C17H12F4N2S
Average molar mass: 352.4 g/mol

Names & identifiers

Preferred name: 4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole
IUPAC: 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole

Names & synonyms

4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazoleSCHEMBL77777924-(4-fluorophenyl) -3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole

Database identifiers

PubChem CID: 15380221

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 54 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 404

Related reactions

17 records

New reaction record

HRID 375652As productuspto-grants-1996_01

HRID 375653As reactantuspto-grants-1996_01

HRID 375656As productuspto-grants-1996_01

HRID 375657As reactantuspto-grants-1996_01

HRID 377681As productuspto-grants-2000_02

HRID 377682As reactantuspto-grants-2000_02

HRID 377685As productuspto-grants-2000_02

HRID 377686As reactantuspto-grants-2000_02

Compound notes

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