1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole

C14H18N2O3S — CID 802425

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(C)c(S(=O)(=O)n2nc(C)cc2C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-14(10(2)6-13(9)19-5)20(17,18)16-12(4)8-11(3)15-16/h6-8H,1-5H3
InChIKeyXTUHXHZPJNGRLZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 802425) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID802425
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1cc(C)c(S(=O)(=O)n2nc(C)cc2C)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-14(10(2)6-13(9)19-5)20(17,18)16-12(4)8-11(3)15-16/h6-8H,1-5H3
InChIKeyXTUHXHZPJNGRLZ-UHFFFAOYSA-N
XLogP2.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 802425) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is COc1cc(C)c(S(=O)(=O)n2nc(C)cc2C)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is XTUHXHZPJNGRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-7-14(10(2)6-13(9)19-5)20(17,18)16-12(4)8-11(3)15-16/h6-8H,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 294.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 802425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).