2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid

C11H17N3O5S — CID 43511204

IUPAC2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCOC1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C11H17N3O5S/c1-19-9-2-4-14(5-3-9)20(17,18)10-6-12-13(7-10)8-11(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16)
InChIKeyOGIRYTCAVRFRPG-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.23
Rot. Bonds5

About 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid

2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 43511204) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID43511204
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCOC1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C11H17N3O5S/c1-19-9-2-4-14(5-3-9)20(17,18)10-6-12-13(7-10)8-11(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16)
InChIKeyOGIRYTCAVRFRPG-UHFFFAOYSA-N
XLogP-0.23
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (CID 43511204) is 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is COC1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is OGIRYTCAVRFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-19-9-2-4-14(5-3-9)20(17,18)10-6-12-13(7-10)8-11(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 303.34 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).