1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

C12H14N2O3S — CID 871651

IUPAC1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-8-10(2)14(13-9)18(15,16)12-6-4-11(17-3)5-7-12/h4-8H,1-3H3
InChIKeyPFACRRHGSURPTB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 871651) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID871651
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-8-10(2)14(13-9)18(15,16)12-6-4-11(17-3)5-7-12/h4-8H,1-3H3
InChIKeyPFACRRHGSURPTB-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 871651) is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is PFACRRHGSURPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-8-10(2)14(13-9)18(15,16)12-6-4-11(17-3)5-7-12/h4-8H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole 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-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 871651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).