4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid

C14H21N3O4S — CID 122424323

IUPAC4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid
SMILESCn1nc(C2CC2)cc1S(=O)(=O)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H21N3O4S/c1-16-13(8-12(15-16)11-2-3-11)22(20,21)9-10-4-6-17(7-5-10)14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyGJHDUAISLWCFSY-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.46
Rot. Bonds4

About 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid

4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid (PubChem CID 122424323) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid
PubChem CID122424323
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid
SMILESCn1nc(C2CC2)cc1S(=O)(=O)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H21N3O4S/c1-16-13(8-12(15-16)11-2-3-11)22(20,21)9-10-4-6-17(7-5-10)14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyGJHDUAISLWCFSY-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid (CID 122424323) is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid is Cn1nc(C2CC2)cc1S(=O)(=O)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid?
The InChIKey is GJHDUAISLWCFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-16-13(8-12(15-16)11-2-3-11)22(20,21)9-10-4-6-17(7-5-10)14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid?
4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122424323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).