2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

C8H16ClN3O3S — CID 164885785

IUPAC2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCC(C)S(=O)(=O)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C8H15N3O3S.ClH/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9;/h5-7H,3-4,9H2,1-2H3;1H
InChIKeyGPDKAEWZROCJBU-UHFFFAOYSA-N
MW269.75 g/mol
LogP0.23
Rot. Bonds5

About 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (PubChem CID 164885785) has the molecular formula C8H16ClN3O3S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
PubChem CID164885785
Molecular FormulaC8H16ClN3O3S
Molecular Weight269.75 g/mol
Exact Mass269.06
IUPAC Name2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCC(C)S(=O)(=O)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C8H15N3O3S.ClH/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9;/h5-7H,3-4,9H2,1-2H3;1H
InChIKeyGPDKAEWZROCJBU-UHFFFAOYSA-N
XLogP0.23
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-1-methylsulfonylpyrazole
CID 169095064
1-Methylsulfonyl-4-prop-2-enoxypyrazole
CID 101959849
2-((1-(Ethylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885779
2-(1-Ethylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885780
2-(1-Propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885786
2-((1-(Cyclohexylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885787
2-(1-Cyclohexylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885788

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The IUPAC name of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (CID 164885785) is 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The canonical SMILES for 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is CC(C)S(=O)(=O)n1cc(OCCN)cn1.Cl.
What is the InChIKey of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The InChIKey is GPDKAEWZROCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S.ClH/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9;/h5-7H,3-4,9H2,1-2H3;1H.
What are the key properties of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 164885785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).