3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole

C17H14F2N2S — CID 10781681

IUPAC3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
SMILESCSc1ccc(-c2cc(CF)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14F2N2S/c1-22-16-8-2-12(3-9-16)17-10-14(11-18)20-21(17)15-6-4-13(19)5-7-15/h2-10H,11H2,1H3
InChIKeyXCCZZSFLZUAIHX-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.87
Rot. Bonds4

About 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole

3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole (PubChem CID 10781681) has the molecular formula C17H14F2N2S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
PubChem CID10781681
Molecular FormulaC17H14F2N2S
Molecular Weight316.38 g/mol
Exact Mass316.08
IUPAC Name3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
SMILESCSc1ccc(-c2cc(CF)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14F2N2S/c1-22-16-8-2-12(3-9-16)17-10-14(11-18)20-21(17)15-6-4-13(19)5-7-15/h2-10H,11H2,1H3
InChIKeyXCCZZSFLZUAIHX-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5327637
CID 9800270
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CID 10271396
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CID 10273159
CID 10273159
CID 10362365
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CID 10598578
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CID 11562265
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CID 10042938
CID 10042938

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole?
The IUPAC name of 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole (CID 10781681) is 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole.
What is the SMILES notation for 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole?
The canonical SMILES for 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole is CSc1ccc(-c2cc(CF)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole?
The InChIKey is XCCZZSFLZUAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2S/c1-22-16-8-2-12(3-9-16)17-10-14(11-18)20-21(17)15-6-4-13(19)5-7-15/h2-10H,11H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole?
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole has a molecular weight of 316.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole is sourced from PubChem (CID 10781681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).