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

C7H13N3O3S — CID 164885780

IUPAC2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine
SMILESCCS(=O)(=O)n1cc(OCCN)cn1
InChIInChI=1S/C7H13N3O3S/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8/h5-6H,2-4,8H2,1H3
InChIKeyVMGWELLOGBCVON-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.58
Rot. Bonds5

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

2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine (PubChem CID 164885780) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine
PubChem CID164885780
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine
SMILESCCS(=O)(=O)n1cc(OCCN)cn1
InChIInChI=1S/C7H13N3O3S/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8/h5-6H,2-4,8H2,1H3
InChIKeyVMGWELLOGBCVON-UHFFFAOYSA-N
XLogP-0.58
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.58
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-Methylpyrazol-4-yl)oxyethanesulfonamide
CID 116793899
3-(1-Methylpyrazol-4-yl)oxypropane-1-sulfonamide
CID 116793900
3-(1-Sulfanylpyrazol-4-yl)oxypropan-1-amine
CID 117229964
3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
CID 117233400
2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
CID 117233436
2-((1-(Ethylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885779
2-((1-(Isopropylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885785
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-ethylsulfonylpyrazol-4-yl)oxyethanamine?
The IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine (CID 164885780) is 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine is CCS(=O)(=O)n1cc(OCCN)cn1.
What is the InChIKey of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine?
The InChIKey is VMGWELLOGBCVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-2-14(11,12)10-6-7(5-9-10)13-4-3-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine?
2-(1-ethylsulfonylpyrazol-4-yl)oxyethanamine has a molecular weight of 219.27 g/mol, XLogP of -0.58, 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 is sourced from PubChem (CID 164885780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).