1-(2-ethylsulfonylethyl)pyrazol-3-amine

C7H13N3O2S — CID 54594595

IUPAC1-(2-ethylsulfonylethyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCn1ccc(N)n1
InChIInChI=1S/C7H13N3O2S/c1-2-13(11,12)6-5-10-4-3-7(8)9-10/h3-4H,2,5-6H2,1H3,(H2,8,9)
InChIKeyOWAKCMBDGVEGTR-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.10
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)pyrazol-3-amine

1-(2-ethylsulfonylethyl)pyrazol-3-amine (PubChem CID 54594595) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)pyrazol-3-amine
PubChem CID54594595
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-(2-ethylsulfonylethyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCn1ccc(N)n1
InChIInChI=1S/C7H13N3O2S/c1-2-13(11,12)6-5-10-4-3-7(8)9-10/h3-4H,2,5-6H2,1H3,(H2,8,9)
InChIKeyOWAKCMBDGVEGTR-UHFFFAOYSA-N
XLogP-0.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)pyrazol-3-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)pyrazol-3-amine (CID 54594595) is 1-(2-ethylsulfonylethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)pyrazol-3-amine is CCS(=O)(=O)CCn1ccc(N)n1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)pyrazol-3-amine?
The InChIKey is OWAKCMBDGVEGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-13(11,12)6-5-10-4-3-7(8)9-10/h3-4H,2,5-6H2,1H3,(H2,8,9).
What are the key properties of 1-(2-ethylsulfonylethyl)pyrazol-3-amine?
1-(2-ethylsulfonylethyl)pyrazol-3-amine has a molecular weight of 203.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)pyrazol-3-amine is sourced from PubChem (CID 54594595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).