2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid

C11H16N2O4S — CID 165478113

IUPAC2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
SMILESCS(=O)(=O)c1cnn(CC(C(=O)O)C2CCC2)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)9-5-12-13(6-9)7-10(11(14)15)8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)
InChIKeyYJHHXDFBUXDXQO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.79
Rot. Bonds5

About 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid

2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid (PubChem CID 165478113) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
PubChem CID165478113
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
SMILESCS(=O)(=O)c1cnn(CC(C(=O)O)C2CCC2)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)9-5-12-13(6-9)7-10(11(14)15)8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)
InChIKeyYJHHXDFBUXDXQO-UHFFFAOYSA-N
XLogP0.79
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid (CID 165478113) is 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid is CS(=O)(=O)c1cnn(CC(C(=O)O)C2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The InChIKey is YJHHXDFBUXDXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(16,17)9-5-12-13(6-9)7-10(11(14)15)8-3-2-4-8/h5-6,8,10H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 165478113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).