3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole

C17H16N2O3S — CID 71608764

IUPAC3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O3S/c1-13-3-9-16(10-4-13)23(20,21)19-12-11-17(18-19)14-5-7-15(22-2)8-6-14/h3-12H,1-2H3
InChIKeyNBIFPZFKEGGZOT-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole

3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 71608764) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID71608764
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O3S/c1-13-3-9-16(10-4-13)23(20,21)19-12-11-17(18-19)14-5-7-15(22-2)8-6-14/h3-12H,1-2H3
InChIKeyNBIFPZFKEGGZOT-UHFFFAOYSA-N
XLogP3.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole (CID 71608764) is 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole is COc1ccc(-c2ccn(S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is NBIFPZFKEGGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-13-3-9-16(10-4-13)23(20,21)19-12-11-17(18-19)14-5-7-15(22-2)8-6-14/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 328.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 71608764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).