1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

C13H16BrN3O — CID 122139250

IUPAC1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESBrc1ccc(CN2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C13H16BrN3O/c14-13-4-3-11(18-13)9-17-7-1-2-10(8-17)12-5-6-15-16-12/h3-6,10H,1-2,7-9H2,(H,15,16)
InChIKeyKQVZVLAJFPXKKM-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.14
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 122139250) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID122139250
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESBrc1ccc(CN2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C13H16BrN3O/c14-13-4-3-11(18-13)9-17-7-1-2-10(8-17)12-5-6-15-16-12/h3-6,10H,1-2,7-9H2,(H,15,16)
InChIKeyKQVZVLAJFPXKKM-UHFFFAOYSA-N
XLogP3.14
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124751627
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 122139250) is 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine is Brc1ccc(CN2CCCC(c3ccn[nH]3)C2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is KQVZVLAJFPXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-13-4-3-11(18-13)9-17-7-1-2-10(8-17)12-5-6-15-16-12/h3-6,10H,1-2,7-9H2,(H,15,16).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 310.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 122139250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).