ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole

C11H22N2O2S — CID 176666040

IUPACethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(CCS(C)(=O)=O)c1
InChIInChI=1S/C9H16N2O2S.C2H6/c1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyHTRUWSODSAUELR-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.08
Rot. Bonds4

About ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole

ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole (PubChem CID 176666040) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
PubChem CID176666040
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Nameethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(CCS(C)(=O)=O)c1
InChIInChI=1S/C9H16N2O2S.C2H6/c1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyHTRUWSODSAUELR-UHFFFAOYSA-N
XLogP2.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729712
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
[1-(2-methylsulfonylethyl)pyrazol-4-yl]boronic acid
CID 131631773
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
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1-but-3-ynyl-4-propan-2-ylpyrazole
CID 88570779
4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730682
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
CID 170609133

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole?
The IUPAC name of ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole (CID 176666040) is ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole is CC.CC(C)c1cnn(CCS(C)(=O)=O)c1.
What is the InChIKey of ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole?
The InChIKey is HTRUWSODSAUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S.C2H6/c1-8(2)9-6-10-11(7-9)4-5-14(3,12)13;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole?
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole has a molecular weight of 246.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 176666040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).