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

C12H19N3O4S — CID 62034756

IUPAC3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCCC1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-3-9-4-6-15(7-5-9)20(18,19)11-10(12(16)17)8(2)13-14-11/h9H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyQWVLTDAHMCVCNA-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.23
Rot. Bonds4

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

3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62034756) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID62034756
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCCC1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-3-9-4-6-15(7-5-9)20(18,19)11-10(12(16)17)8(2)13-14-11/h9H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyQWVLTDAHMCVCNA-UHFFFAOYSA-N
XLogP1.23
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic 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-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid (CID 62034756) is 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid is CCC1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is QWVLTDAHMCVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-9-4-6-15(7-5-9)20(18,19)11-10(12(16)17)8(2)13-14-11/h9H,3-7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62034756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).