1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

C12H13FN2O3S — CID 977005

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(F)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-7-10(13)4-5-11(12)18-3/h4-7H,1-3H3
InChIKeyGJPUWNISXXBUPG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole

1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 977005) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID977005
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCOc1ccc(F)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C12H13FN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-7-10(13)4-5-11(12)18-3/h4-7H,1-3H3
InChIKeyGJPUWNISXXBUPG-UHFFFAOYSA-N
XLogP1.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-2-methoxyphenyl)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

Related Compounds

1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
1-(3,4-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 769966
1-(4-Chloro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 649074
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-((2-methoxy-5-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 839455
1-(2-Ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850119
4-[(3,5-Dimethylpyrazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene
CID 935529
1-(5-Bromo-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 747358
1-[(2-methoxy-4-methylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 801460
1-(3-Ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole
CID 2147934

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole (CID 977005) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is COc1ccc(F)cc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is GJPUWNISXXBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-6-9(2)15(14-8)19(16,17)12-7-10(13)4-5-11(12)18-3/h4-7H,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 284.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 977005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).