5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol

C9H16N2O3S — CID 165472463

IUPAC5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
SMILESCC(O)CCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H16N2O3S/c1-8(12)4-3-5-11-7-9(6-10-11)15(2,13)14/h6-8,12H,3-5H2,1-2H3
InChIKeySTVUNRXZGXGSDV-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.45
Rot. Bonds5

About 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol

5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol (PubChem CID 165472463) has the molecular formula C9H16N2O3S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
PubChem CID165472463
Molecular FormulaC9H16N2O3S
Molecular Weight232.31 g/mol
Exact Mass232.09
IUPAC Name5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
SMILESCC(O)CCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H16N2O3S/c1-8(12)4-3-5-11-7-9(6-10-11)15(2,13)14/h6-8,12H,3-5H2,1-2H3
InChIKeySTVUNRXZGXGSDV-UHFFFAOYSA-N
XLogP0.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
CID 165473024
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
CID 165480993
1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
3-(4-methylsulfonylpyrazol-1-yl)butan-2-one
CID 165478100
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole
CID 138020578

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol?
The IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol (CID 165472463) is 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol.
What is the SMILES notation for 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol?
The canonical SMILES for 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol is CC(O)CCCn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol?
The InChIKey is STVUNRXZGXGSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(12)4-3-5-11-7-9(6-10-11)15(2,13)14/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol?
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol has a molecular weight of 232.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol is sourced from PubChem (CID 165472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).