(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C13H14BrN3O2 — CID 95281714

IUPAC(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C13H14BrN3O2/c14-12-7-10(9-19-12)13(18)16-5-1-3-11(8-16)17-6-2-4-15-17/h2,4,6-7,9,11H,1,3,5,8H2/t11-/m1/s1
InChIKeyVHVUIQUZAILTBF-LLVKDONJSA-N
MW324.18 g/mol
LogP2.72
Rot. Bonds2

About (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95281714) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95281714
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C13H14BrN3O2/c14-12-7-10(9-19-12)13(18)16-5-1-3-11(8-16)17-6-2-4-15-17/h2,4,6-7,9,11H,1,3,5,8H2/t11-/m1/s1
InChIKeyVHVUIQUZAILTBF-LLVKDONJSA-N
XLogP2.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561602
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95281714) is (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1coc(Br)c1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is VHVUIQUZAILTBF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-12-7-10(9-19-12)13(18)16-5-1-3-11(8-16)17-6-2-4-15-17/h2,4,6-7,9,11H,1,3,5,8H2/t11-/m1/s1.
What are the key properties of (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 324.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95281714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).