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

C16H13FN2S — CID 67600734

IUPAC5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole
SMILESCSc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN2S/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyDLZGZPPHSBBBAL-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.60
Rot. Bonds3

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

5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole (PubChem CID 67600734) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole
PubChem CID67600734
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole
SMILESCSc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13FN2S/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyDLZGZPPHSBBBAL-UHFFFAOYSA-N
XLogP4.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-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 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole (CID 67600734) is 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole is CSc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole?
The InChIKey is DLZGZPPHSBBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole?
5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole has a molecular weight of 284.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole is sourced from PubChem (CID 67600734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).