4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine

C13H16BrN3S — CID 84607127

IUPAC4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
SMILESCn1ncc(-c2cc(Br)cs2)c1C1CCNCC1
InChIInChI=1S/C13H16BrN3S/c1-17-13(9-2-4-15-5-3-9)11(7-16-17)12-6-10(14)8-18-12/h6-9,15H,2-5H2,1H3
InChIKeyFKHUDGSVKSEDIS-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.38
Rot. Bonds2

About 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine

4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine (PubChem CID 84607127) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
PubChem CID84607127
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
SMILESCn1ncc(-c2cc(Br)cs2)c1C1CCNCC1
InChIInChI=1S/C13H16BrN3S/c1-17-13(9-2-4-15-5-3-9)11(7-16-17)12-6-10(14)8-18-12/h6-9,15H,2-5H2,1H3
InChIKeyFKHUDGSVKSEDIS-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 107354701
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
4-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]piperidine
CID 115039346
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018486
1,4-dimethyl-5-pyrrolidin-3-ylpyrazole
CID 82596920
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18686313
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 116974771
4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 55084668
4-(5-bromo-1-methylpyrrol-3-yl)piperidine
CID 84703722
5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
CID 116976347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine?
The IUPAC name of 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine (CID 84607127) is 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine?
The canonical SMILES for 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine is Cn1ncc(-c2cc(Br)cs2)c1C1CCNCC1.
What is the InChIKey of 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine?
The InChIKey is FKHUDGSVKSEDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-17-13(9-2-4-15-5-3-9)11(7-16-17)12-6-10(14)8-18-12/h6-9,15H,2-5H2,1H3.
What are the key properties of 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine?
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine has a molecular weight of 326.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine is sourced from PubChem (CID 84607127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).