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

C12H15N3O3S — CID 117451531

IUPAC3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(S(C)(=O)=O)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3O3S/c1-15-12(13)7-10(14-15)9-6-8(19(3,16)17)4-5-11(9)18-2/h4-7H,13H2,1-3H3
InChIKeyOMNBRARJICFIHS-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.08
Rot. Bonds3

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

3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117451531) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
PubChem CID117451531
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(S(C)(=O)=O)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15N3O3S/c1-15-12(13)7-10(14-15)9-6-8(19(3,16)17)4-5-11(9)18-2/h4-7H,13H2,1-3H3
InChIKeyOMNBRARJICFIHS-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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Related Compounds

3-(3-methoxy-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451526
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444295
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine (CID 117451531) is 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine is COc1ccc(S(C)(=O)=O)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is OMNBRARJICFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-15-12(13)7-10(14-15)9-6-8(19(3,16)17)4-5-11(9)18-2/h4-7H,13H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
3-(2-methoxy-5-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-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117451531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).