1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

C13H16N2O3S — CID 839455

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C13H16N2O3S/c1-9-5-6-12(18-4)13(7-9)19(16,17)15-11(3)8-10(2)14-15/h5-8H,1-4H3
InChIKeyZNSUCZUUIYEZPK-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.05
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 839455) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID839455
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C13H16N2O3S/c1-9-5-6-12(18-4)13(7-9)19(16,17)15-11(3)8-10(2)14-15/h5-8H,1-4H3
InChIKeyZNSUCZUUIYEZPK-UHFFFAOYSA-N
XLogP2.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850120
1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
1-(4-Methoxy-2,3-dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977170
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-(2-Ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850119
4-tert-butyl-2-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl ethyl ether
CID 850121
1-{[2-Ethoxy-4-methyl-5-(methylethyl)phenyl]sulfonyl}-3-methylpyrazole
CID 2239703
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 118120979
1-[(2-methoxy-4-methylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 801460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 839455) is 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is COc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is ZNSUCZUUIYEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-5-6-12(18-4)13(7-9)19(16,17)15-11(3)8-10(2)14-15/h5-8H,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 839455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).