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

C8H15N3O3S — CID 164885786

IUPAC2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine
SMILESCC(C)S(=O)(=O)n1cc(OCCN)cn1
InChIInChI=1S/C8H15N3O3S/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9/h5-7H,3-4,9H2,1-2H3
InChIKeyFLBAODOLSPXSOX-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.19
Rot. Bonds5

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

2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine (PubChem CID 164885786) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine
PubChem CID164885786
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine
SMILESCC(C)S(=O)(=O)n1cc(OCCN)cn1
InChIInChI=1S/C8H15N3O3S/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9/h5-7H,3-4,9H2,1-2H3
InChIKeyFLBAODOLSPXSOX-UHFFFAOYSA-N
XLogP-0.19
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.19
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
4-(1-Methylpyrazol-4-yl)oxybutane-1-sulfonamide
CID 116793901
3-(1-Ethylpyrazol-4-yl)oxypropane-1-sulfonamide
CID 116804346
2-(1-Propylpyrazol-4-yl)oxyethanesulfonamide
CID 116804375
3-(1-Sulfanylpyrazol-4-yl)oxypropan-1-amine
CID 117229964
4-(1H-pyrazol-4-yloxy)thiane 1,1-dioxide
CID 117233406
2-((1-(Ethylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885779
2-(1-Ethylsulfonylpyrazol-4-yl)oxyethanamine
CID 164885780
2-((1-(Isopropylsulfonyl)-1H-pyrazol-4-yl)oxy)ethanamine hydrochloride
CID 164885785
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?
The IUPAC name of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine (CID 164885786) is 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine is CC(C)S(=O)(=O)n1cc(OCCN)cn1.
What is the InChIKey of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine?
The InChIKey is FLBAODOLSPXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7(2)15(12,13)11-6-8(5-10-11)14-4-3-9/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine?
2-(1-propan-2-ylsulfonylpyrazol-4-yl)oxyethanamine has a molecular weight of 233.29 g/mol, XLogP of -0.19, 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 is sourced from PubChem (CID 164885786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).