2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C21H21ClN4O — CID 92568328

IUPAC2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C21H21ClN4O/c22-17-5-3-4-15(12-17)13-20(27)26-11-2-1-6-19(26)21-18(14-24-25-21)16-7-9-23-10-8-16/h3-5,7-10,12,14,19H,1-2,6,11,13H2,(H,24,25)/t19-/m1/s1
InChIKeyKQPYHLHOZMFWND-LJQANCHMSA-N
MW380.88 g/mol
LogP4.42
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 92568328) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID92568328
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C21H21ClN4O/c22-17-5-3-4-15(12-17)13-20(27)26-11-2-1-6-19(26)21-18(14-24-25-21)16-7-9-23-10-8-16/h3-5,7-10,12,14,19H,1-2,6,11,13H2,(H,24,25)/t19-/m1/s1
InChIKeyKQPYHLHOZMFWND-LJQANCHMSA-N
XLogP4.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685
2-(4-ethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593684
1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110253960
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
2-(3-chlorophenyl)-1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95802254
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 110268744
1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 110224827
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92594548

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 92568328) is 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1c1[nH]ncc1-c1ccncc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is KQPYHLHOZMFWND-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-17-5-3-4-15(12-17)13-20(27)26-11-2-1-6-19(26)21-18(14-24-25-21)16-7-9-23-10-8-16/h3-5,7-10,12,14,19H,1-2,6,11,13H2,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 380.88 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92568328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).