4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine

C12H14FN3O3S — CID 117482175

IUPAC4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(C)c2N)c(F)c1S(C)(=O)=O
InChIInChI=1S/C12H14FN3O3S/c1-16-12(14)8(6-15-16)7-4-5-9(19-2)11(10(7)13)20(3,17)18/h4-6H,14H2,1-3H3
InChIKeyGTFKSLXEWWPWEX-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.22
Rot. Bonds3

About 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine

4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117482175) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
PubChem CID117482175
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(C)c2N)c(F)c1S(C)(=O)=O
InChIInChI=1S/C12H14FN3O3S/c1-16-12(14)8(6-15-16)7-4-5-9(19-2)11(10(7)13)20(3,17)18/h4-6H,14H2,1-3H3
InChIKeyGTFKSLXEWWPWEX-UHFFFAOYSA-N
XLogP1.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117476082
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
CID 117385998
4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117477177
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117433956
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine (CID 117482175) is 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine is COc1ccc(-c2cnn(C)c2N)c(F)c1S(C)(=O)=O.
What is the InChIKey of 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GTFKSLXEWWPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-12(14)8(6-15-16)7-4-5-9(19-2)11(10(7)13)20(3,17)18/h4-6H,14H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 299.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117482175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).