3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole

C24H22N2O4S2 — CID 135065420

IUPAC3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-9-13-21(14-10-17)31(27,28)24-19(3)25-26(23(24)20-7-5-4-6-8-20)32(29,30)22-15-11-18(2)12-16-22/h4-16H,1-3H3
InChIKeyUVPBLUQLRLQLOV-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.55
Rot. Bonds5

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

3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole (PubChem CID 135065420) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole.

Molecular Properties

Compound Name3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole
PubChem CID135065420
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-9-13-21(14-10-17)31(27,28)24-19(3)25-26(23(24)20-7-5-4-6-8-20)32(29,30)22-15-11-18(2)12-16-22/h4-16H,1-3H3
InChIKeyUVPBLUQLRLQLOV-UHFFFAOYSA-N
XLogP4.55
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyrazolo[1,5-b]pyridazine
CID 44395167
1-((4-fluorophenyl)sulfonyl)-3,5-dimethyl-4-(p-tolylthio)-1H-pyrazole
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3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole
CID 2808054
4-(4-Fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 162412603
3,5-dimethyl-4-[(4-methylphenyl)thio]-1-[(2-nitrophenyl)sulfonyl]-1H-pyrazole
CID 4110383
3,4,5-trimethyl-1-tosyl-1H-pyrazole
CID 6464030
3-Methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 70671351
3,5-dimethyl-4-(phenylthio)-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-pyrazole
CID 2136470
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 135029075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The IUPAC name of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole (CID 135065420) is 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole.
What is the SMILES notation for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The canonical SMILES for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole is Cc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The InChIKey is UVPBLUQLRLQLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-17-9-13-21(14-10-17)31(27,28)24-19(3)25-26(23(24)20-7-5-4-6-8-20)32(29,30)22-15-11-18(2)12-16-22/h4-16H,1-3H3.
What are the key properties of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole has a molecular weight of 466.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-phenylpyrazole is sourced from PubChem (CID 135065420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).