4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole

C17H12F4N2S — CID 15380221

IUPAC4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCSc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2S/c1-24-13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyNTCZRPUJIGWKOO-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.62
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 15380221) has the molecular formula C17H12F4N2S and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID15380221
Molecular FormulaC17H12F4N2S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCSc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2S/c1-24-13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyNTCZRPUJIGWKOO-UHFFFAOYSA-N
XLogP5.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 15380221) is 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole is CSc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NTCZRPUJIGWKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2S/c1-24-13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 352.36 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 15380221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).