4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine

C13H19F2N3O2S — CID 122424237

IUPAC4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1
InChIInChI=1S/C13H19F2N3O2S/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10/h8-10,16H,2-7H2,1H3
InChIKeyZASLFQIJVMNDHM-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.66
Rot. Bonds4

About 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine

4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine (PubChem CID 122424237) has the molecular formula C13H19F2N3O2S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
PubChem CID122424237
Molecular FormulaC13H19F2N3O2S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1
InChIInChI=1S/C13H19F2N3O2S/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10/h8-10,16H,2-7H2,1H3
InChIKeyZASLFQIJVMNDHM-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.66
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)sulfonyl-difluoromethyl]piperidine?
The IUPAC name of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine (CID 122424237) is 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine.
What is the SMILES notation for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine?
The canonical SMILES for 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine is Cn1nc(C2CC2)cc1S(=O)(=O)C(F)(F)C1CCNCC1.
What is the InChIKey of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine?
The InChIKey is ZASLFQIJVMNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S/c1-18-12(8-11(17-18)9-2-3-9)21(19,20)13(14,15)10-4-6-16-7-5-10/h8-10,16H,2-7H2,1H3.
What are the key properties of 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine?
4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine has a molecular weight of 319.38 g/mol, XLogP of 1.66, 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)sulfonyl-difluoromethyl]piperidine is sourced from PubChem (CID 122424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).