5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

C11H16N4O5S — CID 60951312

IUPAC5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2[nH]ncc2C(=O)O)C1
InChIInChI=1S/C11H16N4O5S/c1-7(16)13-8-3-2-4-15(6-8)21(19,20)10-9(11(17)18)5-12-14-10/h5,8H,2-4,6H2,1H3,(H,12,14)(H,13,16)(H,17,18)
InChIKeyFVLMCWYIGQABCH-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.60
Rot. Bonds4

About 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 60951312) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID60951312
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2[nH]ncc2C(=O)O)C1
InChIInChI=1S/C11H16N4O5S/c1-7(16)13-8-3-2-4-15(6-8)21(19,20)10-9(11(17)18)5-12-14-10/h5,8H,2-4,6H2,1H3,(H,12,14)(H,13,16)(H,17,18)
InChIKeyFVLMCWYIGQABCH-UHFFFAOYSA-N
XLogP-0.60
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (CID 60951312) is 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is CC(=O)NC1CCCN(S(=O)(=O)c2[nH]ncc2C(=O)O)C1.
What is the InChIKey of 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is FVLMCWYIGQABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-7(16)13-8-3-2-4-15(6-8)21(19,20)10-9(11(17)18)5-12-14-10/h5,8H,2-4,6H2,1H3,(H,12,14)(H,13,16)(H,17,18).
What are the key properties of 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60951312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).