1,3-dimethyl-5-methylsulfonylpyrazol-4-amine

C6H11N3O2S — CID 43553924

IUPAC1,3-dimethyl-5-methylsulfonylpyrazol-4-amine
SMILESCc1nn(C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C6H11N3O2S/c1-4-5(7)6(9(2)8-4)12(3,10)11/h7H2,1-3H3
InChIKeyMMEWNDUFJSKCKT-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.29
Rot. Bonds1

About 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine

1,3-dimethyl-5-methylsulfonylpyrazol-4-amine (PubChem CID 43553924) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-methylsulfonylpyrazol-4-amine
PubChem CID43553924
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1,3-dimethyl-5-methylsulfonylpyrazol-4-amine
SMILESCc1nn(C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C6H11N3O2S/c1-4-5(7)6(9(2)8-4)12(3,10)11/h7H2,1-3H3
InChIKeyMMEWNDUFJSKCKT-UHFFFAOYSA-N
XLogP-0.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine (CID 43553924) is 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine is Cc1nn(C)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine?
The InChIKey is MMEWNDUFJSKCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-4-5(7)6(9(2)8-4)12(3,10)11/h7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine?
1,3-dimethyl-5-methylsulfonylpyrazol-4-amine has a molecular weight of 189.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylsulfonylpyrazol-4-amine is sourced from PubChem (CID 43553924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).