[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone

C15H16ClN3O — CID 17424319

IUPAC[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)14-13(10-17-18-14)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18)
InChIKeyDBMYWUUXGDRAKH-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.36
Rot. Bonds2

About [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 17424319) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID17424319
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)14-13(10-17-18-14)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18)
InChIKeyDBMYWUUXGDRAKH-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 24643673
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24682732
[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111824456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 55497025
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 16595504
[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 166216627
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methanone
CID 24594848

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone (CID 17424319) is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is DBMYWUUXGDRAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)14-13(10-17-18-14)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18).
What are the key properties of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 289.77 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17424319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).