[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C15H19N3O2 — CID 35555894

IUPAC[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-7-12(16-17-13)14-4-3-5-20-14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,17)/t10-,11+
InChIKeyLPTBJGZGXGFOPA-PHIMTYICSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 35555894) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID35555894
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-7-12(16-17-13)14-4-3-5-20-14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,17)/t10-,11+
InChIKeyLPTBJGZGXGFOPA-PHIMTYICSA-N
XLogP2.79
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 90593955
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 35555894) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is LPTBJGZGXGFOPA-PHIMTYICSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-7-12(16-17-13)14-4-3-5-20-14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,17)/t10-,11+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 35555894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).