3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid

C11H16N4O5S — CID 63606666

IUPAC3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c1-8-11(18)12-3-5-15(8)21(19,20)9-6-13-14(7-9)4-2-10(16)17/h6-8H,2-5H2,1H3,(H,12,18)(H,16,17)
InChIKeyCZSFDQCZERJQCV-UHFFFAOYSA-N
MW316.34 g/mol
LogP-1.13
Rot. Bonds5

About 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid

3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid (PubChem CID 63606666) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
PubChem CID63606666
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c1-8-11(18)12-3-5-15(8)21(19,20)9-6-13-14(7-9)4-2-10(16)17/h6-8H,2-5H2,1H3,(H,12,18)(H,16,17)
InChIKeyCZSFDQCZERJQCV-UHFFFAOYSA-N
XLogP-1.13
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid (CID 63606666) is 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid is CC1C(=O)NCCN1S(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The InChIKey is CZSFDQCZERJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-8-11(18)12-3-5-15(8)21(19,20)9-6-13-14(7-9)4-2-10(16)17/h6-8H,2-5H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid has a molecular weight of 316.34 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid is sourced from PubChem (CID 63606666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).