2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

C7H14ClN3O3S — CID 164885779

IUPAC2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCCS(=O)(=O)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C7H13N3O3S.ClH/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8;/h5-6H,2-4,8H2,1H3;1H
InChIKeyLIHMVYFLYQMWTB-UHFFFAOYSA-N
MW255.73 g/mol
LogP-0.16
Rot. Bonds5

About 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (PubChem CID 164885779) has the molecular formula C7H14ClN3O3S and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
PubChem CID164885779
Molecular FormulaC7H14ClN3O3S
Molecular Weight255.73 g/mol
Exact Mass255.04
IUPAC Name2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCCS(=O)(=O)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C7H13N3O3S.ClH/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8;/h5-6H,2-4,8H2,1H3;1H
InChIKeyLIHMVYFLYQMWTB-UHFFFAOYSA-N
XLogP-0.16
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (CID 164885779) is 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The canonical SMILES for 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is CCS(=O)(=O)n1cc(OCCN)cn1.Cl.
What is the InChIKey of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The InChIKey is LIHMVYFLYQMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S.ClH/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8;/h5-6H,2-4,8H2,1H3;1H.
What are the key properties of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride has a molecular weight of 255.73 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 164885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).