1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole

C19H20N2O3S2 — CID 23731442

IUPAC1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-9-17(10-6-13)25-19-14(2)20-21(15(19)3)26(22,23)18-11-7-16(24-4)8-12-18/h5-12H,1-4H3
InChIKeySZACMDWPRGMRAK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole

1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole (PubChem CID 23731442) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
PubChem CID23731442
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13-5-9-17(10-6-13)25-19-14(2)20-21(15(19)3)26(22,23)18-11-7-16(24-4)8-12-18/h5-12H,1-4H3
InChIKeySZACMDWPRGMRAK-UHFFFAOYSA-N
XLogP4.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 980507
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
CID 122229440
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
4-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)sulfanylpyridine
CID 142740939
3-(4-methoxyphenyl)sulfanyl-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 135008910
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
CID 22200680
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 979715
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole (CID 23731442) is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole is COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole?
The InChIKey is SZACMDWPRGMRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13-5-9-17(10-6-13)25-19-14(2)20-21(15(19)3)26(22,23)18-11-7-16(24-4)8-12-18/h5-12H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole?
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole has a molecular weight of 388.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole is sourced from PubChem (CID 23731442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).