2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one

C20H18FN3O4 — CID 56738820

IUPAC2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one
SMILESO=C(c1cc(=O)c(O)co1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O4/c21-14-5-3-12(4-6-14)15-9-22-23-19(15)13-2-1-7-24(10-13)20(27)18-8-16(25)17(26)11-28-18/h3-6,8-9,11,13,26H,1-2,7,10H2,(H,22,23)
InChIKeyRLLXILWIJZZSEL-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.89
Rot. Bonds3

About 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one

2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one (PubChem CID 56738820) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one
PubChem CID56738820
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one
SMILESO=C(c1cc(=O)c(O)co1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O4/c21-14-5-3-12(4-6-14)15-9-22-23-19(15)13-2-1-7-24(10-13)20(27)18-8-16(25)17(26)11-28-18/h3-6,8-9,11,13,26H,1-2,7,10H2,(H,22,23)
InChIKeyRLLXILWIJZZSEL-UHFFFAOYSA-N
XLogP2.89
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
2-methyl-5-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 95200554
4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56747717
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 42165042
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
1-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95209428
5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one (CID 56738820) is 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one is O=C(c1cc(=O)c(O)co1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one?
The InChIKey is RLLXILWIJZZSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-14-5-3-12(4-6-14)15-9-22-23-19(15)13-2-1-7-24(10-13)20(27)18-8-16(25)17(26)11-28-18/h3-6,8-9,11,13,26H,1-2,7,10H2,(H,22,23).
What are the key properties of 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one?
2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one has a molecular weight of 383.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 56738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).