[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone

C19H18FN3O2 — CID 53185294

IUPAC[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H18FN3O2/c20-16-5-3-13(4-6-16)17-10-18(22-21-17)14-2-1-8-23(11-14)19(24)15-7-9-25-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,21,22)
InChIKeyUJJQERKURQDADD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.83
Rot. Bonds3

About [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone

[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 53185294) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID53185294
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H18FN3O2/c20-16-5-3-13(4-6-16)17-10-18(22-21-17)14-2-1-8-23(11-14)19(24)15-7-9-25-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,21,22)
InChIKeyUJJQERKURQDADD-UHFFFAOYSA-N
XLogP3.83
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
CID 99883345
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288565
(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
CID 95107377
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288527
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141269035

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone (CID 53185294) is [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is UJJQERKURQDADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-5-3-13(4-6-16)17-10-18(22-21-17)14-2-1-8-23(11-14)19(24)15-7-9-25-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,21,22).
What are the key properties of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone?
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 339.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53185294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).