1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole

C12H14N2O3S — CID 1085563

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-8-11(4-5-12(9)17-3)18(15,16)14-7-6-10(2)13-14/h4-8H,1-3H3
InChIKeyDGBGXUGIPWFTDS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole

1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 1085563) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID1085563
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-8-11(4-5-12(9)17-3)18(15,16)14-7-6-10(2)13-14/h4-8H,1-3H3
InChIKeyDGBGXUGIPWFTDS-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-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
6-[(3-methyl-1H-pyrazol-1-yl)sulfonyl]-2H-chromen-2-one
CID 6458794
6-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2H-chromen-2-one
CID 6484453
1-(4-Methoxy-2,5-dimethyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 647228
1-(4-Methoxy-2,3-dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977170
N-(1H-indazol-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 1507316
1-[(4-ethoxynaphthalen-1-yl)sulfonyl]-3-methyl-1H-pyrazole
CID 2056201
1-(2,5-Dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
CID 2222386
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-{[1-(4-Methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-YL]sulfonyl}azepane
CID 16029733
1-{[1-(4-methoxy-3-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine
CID 16029735

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole (CID 1085563) is 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole is COc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is DGBGXUGIPWFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-8-11(4-5-12(9)17-3)18(15,16)14-7-6-10(2)13-14/h4-8H,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole?
1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole 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-(4-methoxy-3-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 1085563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).