4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole

C17H15FN2O2S — CID 19355214

IUPAC4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-9-13(18)5-8-15(11)16-10-19-20-17(16)12-3-6-14(7-4-12)23(2,21)22/h3-10H,1-2H3,(H,19,20)
InChIKeyHFIYMOWEFDEAHG-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.59
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole

4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole (PubChem CID 19355214) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
PubChem CID19355214
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-9-13(18)5-8-15(11)16-10-19-20-17(16)12-3-6-14(7-4-12)23(2,21)22/h3-10H,1-2H3,(H,19,20)
InChIKeyHFIYMOWEFDEAHG-UHFFFAOYSA-N
XLogP3.59
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole (CID 19355214) is 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole is Cc1cc(F)ccc1-c1cn[nH]c1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The InChIKey is HFIYMOWEFDEAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-9-13(18)5-8-15(11)16-10-19-20-17(16)12-3-6-14(7-4-12)23(2,21)22/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole has a molecular weight of 330.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 19355214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).