1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid

C15H23N3O4S — CID 166273515

IUPAC1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)n(C2CCCC2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-9-14(18(16-11)13-6-2-3-7-13)23(21,22)17-8-4-5-12(10-17)15(19)20/h9,12-13H,2-8,10H2,1H3,(H,19,20)
InChIKeyDERGXRRQCONXDN-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.79
Rot. Bonds4

About 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid

1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 166273515) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID166273515
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)n(C2CCCC2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-9-14(18(16-11)13-6-2-3-7-13)23(21,22)17-8-4-5-12(10-17)15(19)20/h9,12-13H,2-8,10H2,1H3,(H,19,20)
InChIKeyDERGXRRQCONXDN-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid (CID 166273515) is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid is Cc1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)n(C2CCCC2)n1.
What is the InChIKey of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is DERGXRRQCONXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-9-14(18(16-11)13-6-2-3-7-13)23(21,22)17-8-4-5-12(10-17)15(19)20/h9,12-13H,2-8,10H2,1H3,(H,19,20).
What are the key properties of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 166273515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).