1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C21H21FN4O — CID 110253960

IUPAC1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCCC1c1[nH]ncc1-c1cccc(F)c1
InChIInChI=1S/C21H21FN4O/c22-17-7-3-6-16(12-17)18-14-24-25-21(18)19-8-1-2-10-26(19)20(27)11-15-5-4-9-23-13-15/h3-7,9,12-14,19H,1-2,8,10-11H2,(H,24,25)
InChIKeyKKELIYFSRKFVIR-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.91
Rot. Bonds4

About 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 110253960) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID110253960
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCCC1c1[nH]ncc1-c1cccc(F)c1
InChIInChI=1S/C21H21FN4O/c22-17-7-3-6-16(12-17)18-14-24-25-21(18)19-8-1-2-10-26(19)20(27)11-15-5-4-9-23-13-15/h3-7,9,12-14,19H,1-2,8,10-11H2,(H,24,25)
InChIKeyKKELIYFSRKFVIR-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92568328
(4-chlorophenyl)-[(2S)-2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95816601
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
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
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 110253960) is 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCCC1c1[nH]ncc1-c1cccc(F)c1.
What is the InChIKey of 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is KKELIYFSRKFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-7-3-6-16(12-17)18-14-24-25-21(18)19-8-1-2-10-26(19)20(27)11-15-5-4-9-23-13-15/h3-7,9,12-14,19H,1-2,8,10-11H2,(H,24,25).
What are the key properties of 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 364.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 110253960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).