4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole

C25H24N2O2S — CID 19588047

IUPAC4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C25H24N2O2S/c1-17-5-11-21(12-6-17)24-20(4)25(22-13-7-18(2)8-14-22)27(26-24)30(28,29)23-15-9-19(3)10-16-23/h5-16H,1-4H3
InChIKeyUDYOLNKXWVOWER-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.69
Rot. Bonds4

About 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole

4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 19588047) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID19588047
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C25H24N2O2S/c1-17-5-11-21(12-6-17)24-20(4)25(22-13-7-18(2)8-14-22)27(26-24)30(28,29)23-15-9-19(3)10-16-23/h5-16H,1-4H3
InChIKeyUDYOLNKXWVOWER-UHFFFAOYSA-N
XLogP5.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
CID 135693305
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
ethane;1-(4-fluorophenyl)sulfonyl-5-methyl-4-(4-methylphenyl)triazole
CID 164925435
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
CID 156769792
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 101492715
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole (CID 19588047) is 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(-c2nn(S(=O)(=O)c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is UDYOLNKXWVOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-17-5-11-21(12-6-17)24-20(4)25(22-13-7-18(2)8-14-22)27(26-24)30(28,29)23-15-9-19(3)10-16-23/h5-16H,1-4H3.
What are the key properties of 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole?
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 416.55 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 19588047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).