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

C21H21FN4O — CID 22262550

IUPAC1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H21FN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25)
InChIKeySKZVJZQVXSCUCD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.00
Rot. Bonds3

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

1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 22262550) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID22262550
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H21FN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25)
InChIKeySKZVJZQVXSCUCD-UHFFFAOYSA-N
XLogP4.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12106168
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CID 9821511
CID 9821511
CID 9858084
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CID 11717091
CID 11717091
CID 24821653
CID 24821653
CID 121279677
CID 121279677
CID 91819624
CID 91819624
CID 91819626
CID 91819626
CID 44399643
CID 44399643
CID 122186074
CID 122186074
CID 122186075
CID 122186075

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 22262550) is 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is SKZVJZQVXSCUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25).
What are the key properties of 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 364.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 22262550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).