1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine

C7H13N3O2S — CID 66012186

IUPAC1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-4-10-7(13(3,11)12)6(8)5(2)9-10/h4,8H2,1-3H3
InChIKeyYFCAOYKQTORGLS-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.20
Rot. Bonds2

About 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine

1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine (PubChem CID 66012186) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine
PubChem CID66012186
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-4-10-7(13(3,11)12)6(8)5(2)9-10/h4,8H2,1-3H3
InChIKeyYFCAOYKQTORGLS-UHFFFAOYSA-N
XLogP0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine (CID 66012186) is 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine is CCn1nc(C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine?
The InChIKey is YFCAOYKQTORGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4-10-7(13(3,11)12)6(8)5(2)9-10/h4,8H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine?
1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine has a molecular weight of 203.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine is sourced from PubChem (CID 66012186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).