1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole

C12H14N2O3S — CID 6463565

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)c(C)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(2)12(8-11(9)17-3)18(15,16)14-6-4-5-13-14/h4-8H,1-3H3
InChIKeyGDTKAMNEZIHCKQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.75
Rot. Bonds3

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole

1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole (PubChem CID 6463565) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole
PubChem CID6463565
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole
SMILESCOc1cc(S(=O)(=O)n2cccn2)c(C)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(2)12(8-11(9)17-3)18(15,16)14-6-4-5-13-14/h4-8H,1-3H3
InChIKeyGDTKAMNEZIHCKQ-UHFFFAOYSA-N
XLogP1.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4,5-trimethylphenyl)sulfonylpyrazole
CID 15943925
1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpyrazole
CID 6464094
1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
CID 91670014
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 6464199
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700187
1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole
CID 15943920
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
1-(4-chloro-3-methylphenyl)sulfonylpyrazole
CID 39730104
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole (CID 6463565) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole is COc1cc(S(=O)(=O)n2cccn2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole?
The InChIKey is GDTKAMNEZIHCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-7-10(2)12(8-11(9)17-3)18(15,16)14-6-4-5-13-14/h4-8H,1-3H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole?
1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole has a molecular weight of 266.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 6463565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).