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

C20H19FN4O — CID 70775154

IUPAC[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24)
InChIKeyVTDLUWBGCPAVHJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 70775154) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID70775154
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24)
InChIKeyVTDLUWBGCPAVHJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(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
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one
CID 56738820
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 70775154) is [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is VTDLUWBGCPAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24).
What are the key properties of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 350.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 70775154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).