1-ethylsulfonyl-5-methylpyrazol-3-amine

C6H11N3O2S — CID 131126128

IUPAC1-ethylsulfonyl-5-methylpyrazol-3-amine
SMILESCCS(=O)(=O)n1nc(N)cc1C
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)9-5(2)4-6(7)8-9/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPAJYDCZWJBGDBU-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.03
Rot. Bonds2

About 1-ethylsulfonyl-5-methylpyrazol-3-amine

1-ethylsulfonyl-5-methylpyrazol-3-amine (PubChem CID 131126128) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-5-methylpyrazol-3-amine
PubChem CID131126128
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1-ethylsulfonyl-5-methylpyrazol-3-amine
SMILESCCS(=O)(=O)n1nc(N)cc1C
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)9-5(2)4-6(7)8-9/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPAJYDCZWJBGDBU-UHFFFAOYSA-N
XLogP-0.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-methylpyrazol-3-amine?
The IUPAC name of 1-ethylsulfonyl-5-methylpyrazol-3-amine (CID 131126128) is 1-ethylsulfonyl-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-ethylsulfonyl-5-methylpyrazol-3-amine?
The canonical SMILES for 1-ethylsulfonyl-5-methylpyrazol-3-amine is CCS(=O)(=O)n1nc(N)cc1C.
What is the InChIKey of 1-ethylsulfonyl-5-methylpyrazol-3-amine?
The InChIKey is PAJYDCZWJBGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-3-12(10,11)9-5(2)4-6(7)8-9/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 1-ethylsulfonyl-5-methylpyrazol-3-amine?
1-ethylsulfonyl-5-methylpyrazol-3-amine has a molecular weight of 189.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-methylpyrazol-3-amine is sourced from PubChem (CID 131126128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).