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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Related Compounds

(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
3-[3-(3-methyl-2-thienyl)phenyl]-1-(3-pyrrolidinylmethyl)-1H-pyrazole
CID 45202806
1-tert-butyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 72145003
US11026923, Example 65
CID 155773326
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
CID 25806234
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1-benzyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45881588
1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-(3-methylthiophen-2-YL)azepane
CID 46366472

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).