1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole

C12H14N2O4S — CID 1085562

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H14N2O4S/c1-9-6-7-14(13-9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3
InChIKeyPQIKGKCABNVHHS-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.45
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole

1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole (PubChem CID 1085562) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole
PubChem CID1085562
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H14N2O4S/c1-9-6-7-14(13-9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3
InChIKeyPQIKGKCABNVHHS-UHFFFAOYSA-N
XLogP1.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole (CID 1085562) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole is COc1ccc(OC)c(S(=O)(=O)n2ccc(C)n2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is PQIKGKCABNVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9-6-7-14(13-9)19(15,16)12-8-10(17-2)4-5-11(12)18-3/h4-8H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole?
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 282.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 1085562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).