1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

C17H20FN3O — CID 70722745

IUPAC1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-13-8-9-19-21(13)12-17(22)20-10-3-2-7-16(20)14-5-4-6-15(18)11-14/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3
InChIKeyCUBYSYNIXOUASG-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.08
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 70722745) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID70722745
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-13-8-9-19-21(13)12-17(22)20-10-3-2-7-16(20)14-5-4-6-15(18)11-14/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3
InChIKeyCUBYSYNIXOUASG-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 73335337
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[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
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CID 6468083
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
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N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
(4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl}methanone
CID 24810866
(4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl}methanone
CID 24811184
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 70722745) is 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is Cc1ccnn1CC(=O)N1CCCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is CUBYSYNIXOUASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13-8-9-19-21(13)12-17(22)20-10-3-2-7-16(20)14-5-4-6-15(18)11-14/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 301.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).