4-(3-thiophen-3-ylpyrazol-1-yl)piperidine

C12H15N3S — CID 121211946

IUPAC4-(3-thiophen-3-ylpyrazol-1-yl)piperidine
SMILESc1cc(-c2ccn(C3CCNCC3)n2)cs1
InChIInChI=1S/C12H15N3S/c1-5-13-6-2-11(1)15-7-3-12(14-15)10-4-8-16-9-10/h3-4,7-9,11,13H,1-2,5-6H2
InChIKeyGELGSFPGQUXODH-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.54
Rot. Bonds2

About 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine

4-(3-thiophen-3-ylpyrazol-1-yl)piperidine (PubChem CID 121211946) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(3-thiophen-3-ylpyrazol-1-yl)piperidine
PubChem CID121211946
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(3-thiophen-3-ylpyrazol-1-yl)piperidine
SMILESc1cc(-c2ccn(C3CCNCC3)n2)cs1
InChIInChI=1S/C12H15N3S/c1-5-13-6-2-11(1)15-7-3-12(14-15)10-4-8-16-9-10/h3-4,7-9,11,13H,1-2,5-6H2
InChIKeyGELGSFPGQUXODH-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine?
The IUPAC name of 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine (CID 121211946) is 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine.
What is the SMILES notation for 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine?
The canonical SMILES for 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine is c1cc(-c2ccn(C3CCNCC3)n2)cs1.
What is the InChIKey of 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine?
The InChIKey is GELGSFPGQUXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-5-13-6-2-11(1)15-7-3-12(14-15)10-4-8-16-9-10/h3-4,7-9,11,13H,1-2,5-6H2.
What are the key properties of 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine?
4-(3-thiophen-3-ylpyrazol-1-yl)piperidine has a molecular weight of 233.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-3-ylpyrazol-1-yl)piperidine is sourced from PubChem (CID 121211946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).