3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C11H18N4O4S — CID 64528474

IUPAC3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)C1
InChIInChI=1S/C11H18N4O4S/c1-7-3-8(2)6-15(5-7)20(18,19)14-10-4-9(11(16)17)12-13-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H2,12,13,14)
InChIKeyGKDYNZBRRDEHDM-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.74
Rot. Bonds4

About 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528474) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528474
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)C1
InChIInChI=1S/C11H18N4O4S/c1-7-3-8(2)6-15(5-7)20(18,19)14-10-4-9(11(16)17)12-13-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H2,12,13,14)
InChIKeyGKDYNZBRRDEHDM-UHFFFAOYSA-N
XLogP0.74
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64528474) is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is CC1CC(C)CN(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GKDYNZBRRDEHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-7-3-8(2)6-15(5-7)20(18,19)14-10-4-9(11(16)17)12-13-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H2,12,13,14).
What are the key properties of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).