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

C12H15N3O3S — CID 117451526

IUPAC3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(C)n2)c1S(C)(=O)=O
InChIInChI=1S/C12H15N3O3S/c1-15-11(13)7-9(14-15)8-5-4-6-10(18-2)12(8)19(3,16)17/h4-7H,13H2,1-3H3
InChIKeyCEYYVBPWEOSUTA-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.08
Rot. Bonds3

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

3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117451526) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
PubChem CID117451526
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(C)n2)c1S(C)(=O)=O
InChIInChI=1S/C12H15N3O3S/c1-15-11(13)7-9(14-15)8-5-4-6-10(18-2)12(8)19(3,16)17/h4-7H,13H2,1-3H3
InChIKeyCEYYVBPWEOSUTA-UHFFFAOYSA-N
XLogP1.08
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine (CID 117451526) is 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine is COc1cccc(-c2cc(N)n(C)n2)c1S(C)(=O)=O.
What is the InChIKey of 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is CEYYVBPWEOSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-15-11(13)7-9(14-15)8-5-4-6-10(18-2)12(8)19(3,16)17/h4-7H,13H2,1-3H3.
What are the key properties of 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 281.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117451526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).