1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid

C11H17N3O4S — CID 3164934

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyQWMVFOAJYDWWCW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.21
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid

1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 3164934) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID3164934
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyQWMVFOAJYDWWCW-UHFFFAOYSA-N
XLogP0.21
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Dimethyl-1H-pyrazole-4-sulfonyl)-piperidine-3-carboxylic acid
CID 3164936
1-(1,5-Dimethyl-1H-pyrazole-4-sulfonyl)-piperidine-3-carboxylic acid
CID 3164937
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 7174608
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 4469354
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 6496747
4-fluoro-1-(1-methyl-3-trifluoromethyl-1H-pyrazole-4-sulfonyl)-piperidine-4-carboxylic acid
CID 69811926
Ethyl 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate
CID 69812306
Ethyl 1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-YL]sulfonyl}-4-piperidinecarboxylate
CID 4777010
ethyl 1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}piperidine-4-carboxylate
CID 19615017
4-Methyl-4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]pentanoic acid
CID 122068723
(3S,4S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122103454
(2R,3R)-2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine-3-carboxylic acid
CID 122104733

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid (CID 3164934) is 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid is Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is QWMVFOAJYDWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid?
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3164934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).