5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine

C11H13N3O2S — CID 21455575

IUPAC5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C11H13N3O2S/c1-8-6-11(12)14(13-8)9-4-3-5-10(7-9)17(2,15)16/h3-7H,12H2,1-2H3
InChIKeyVKMFTHVFWUSQMV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.17
Rot. Bonds2

About 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine

5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine (PubChem CID 21455575) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
PubChem CID21455575
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C11H13N3O2S/c1-8-6-11(12)14(13-8)9-4-3-5-10(7-9)17(2,15)16/h3-7H,12H2,1-2H3
InChIKeyVKMFTHVFWUSQMV-UHFFFAOYSA-N
XLogP1.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine (CID 21455575) is 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine is Cc1cc(N)n(-c2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine?
The InChIKey is VKMFTHVFWUSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-6-11(12)14(13-8)9-4-3-5-10(7-9)17(2,15)16/h3-7H,12H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine?
5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine is sourced from PubChem (CID 21455575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).