3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole

C14H18N2O2S — CID 2143105

IUPAC3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
SMILESCc1ccn(S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-8-10(2)13(5)14(12(9)4)19(17,18)16-7-6-11(3)15-16/h6-8H,1-5H3
InChIKeyCFMZORNGXJRVJG-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds2

About 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole

3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole (PubChem CID 2143105) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
PubChem CID2143105
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole
SMILESCc1ccn(S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-8-10(2)13(5)14(12(9)4)19(17,18)16-7-6-11(3)15-16/h6-8H,1-5H3
InChIKeyCFMZORNGXJRVJG-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 802097
3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 1094931
6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 22415426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole (CID 2143105) is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The canonical SMILES for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole is Cc1ccn(S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1.
What is the InChIKey of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
The InChIKey is CFMZORNGXJRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-8-10(2)13(5)14(12(9)4)19(17,18)16-7-6-11(3)15-16/h6-8H,1-5H3.
What are the key properties of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole?
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole has a molecular weight of 278.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 2143105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).