1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone

C16H18ClN3O — CID 118765182

IUPAC1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O/c17-15-6-4-13(5-7-15)14-3-1-9-19(11-14)16(21)12-20-10-2-8-18-20/h2,4-8,10,14H,1,3,9,11-12H2
InChIKeyJMMUJSCSWUNSPD-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.94
Rot. Bonds3

About 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 118765182) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID118765182
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O/c17-15-6-4-13(5-7-15)14-3-1-9-19(11-14)16(21)12-20-10-2-8-18-20/h2,4-8,10,14H,1,3,9,11-12H2
InChIKeyJMMUJSCSWUNSPD-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 110266641
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 72921513
1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020901
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020902
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 118765182) is 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is JMMUJSCSWUNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-15-6-4-13(5-7-15)14-3-1-9-19(11-14)16(21)12-20-10-2-8-18-20/h2,4-8,10,14H,1,3,9,11-12H2.
What are the key properties of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 303.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 118765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).