1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine

C12H15N3O2S2 — CID 117479047

IUPAC1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine
SMILESCSc1cc(-c2cc(N)n(C)n2)ccc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O2S2/c1-15-12(13)7-9(14-15)8-4-5-11(19(3,16)17)10(6-8)18-2/h4-7H,13H2,1-3H3
InChIKeyMQPXHDWZEVGGPC-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine

1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine (PubChem CID 117479047) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine
PubChem CID117479047
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine
SMILESCSc1cc(-c2cc(N)n(C)n2)ccc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O2S2/c1-15-12(13)7-9(14-15)8-4-5-11(19(3,16)17)10(6-8)18-2/h4-7H,13H2,1-3H3
InChIKeyMQPXHDWZEVGGPC-UHFFFAOYSA-N
XLogP1.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123961283
3-(3-heptan-4-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123625778
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
CID 137017249
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine (CID 117479047) is 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine is CSc1cc(-c2cc(N)n(C)n2)ccc1S(C)(=O)=O.
What is the InChIKey of 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine?
The InChIKey is MQPXHDWZEVGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-15-12(13)7-9(14-15)8-4-5-11(19(3,16)17)10(6-8)18-2/h4-7H,13H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine?
1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine has a molecular weight of 297.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine is sourced from PubChem (CID 117479047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).