1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole

C12H13FN2O3S — CID 2147934

IUPAC1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-3-18-12-8-10(4-5-11(12)13)19(16,17)15-7-6-9(2)14-15/h4-8H,3H2,1-2H3
InChIKeyGWVYJQLOXPKZTM-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole

1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole (PubChem CID 2147934) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole
PubChem CID2147934
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-3-18-12-8-10(4-5-11(12)13)19(16,17)15-7-6-9(2)14-15/h4-8H,3H2,1-2H3
InChIKeyGWVYJQLOXPKZTM-UHFFFAOYSA-N
XLogP1.97
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
1-((4-chloro-3-methoxyphenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 1583573
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-(methylsulfonyl)-5-(1-phenoxyethyl)-1H-pyrazole
CID 2764679
4-[(3,5-Dimethylpyrazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene
CID 935529
1-(4-Bromo-3-ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 2237824

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole (CID 2147934) is 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole is CCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F.
What is the InChIKey of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole?
The InChIKey is GWVYJQLOXPKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-3-18-12-8-10(4-5-11(12)13)19(16,17)15-7-6-9(2)14-15/h4-8H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole?
1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole has a molecular weight of 284.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2147934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).