2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol

C9H16N2O3S — CID 115601037

IUPAC2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C9H16N2O3S/c1-3-4-11-6-8(5-10-11)9(12)7-15(2,13)14/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyCWGBJINIUOPYHY-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.37
Rot. Bonds5

About 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol

2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 115601037) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID115601037
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C9H16N2O3S/c1-3-4-11-6-8(5-10-11)9(12)7-15(2,13)14/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyCWGBJINIUOPYHY-UHFFFAOYSA-N
XLogP0.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol (CID 115601037) is 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)CS(C)(=O)=O)cn1.
What is the InChIKey of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is CWGBJINIUOPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-4-11-6-8(5-10-11)9(12)7-15(2,13)14/h5-6,9,12H,3-4,7H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol?
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 232.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115601037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).