(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C19H18FN3O2 — CID 141288563

IUPAC(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2cc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C19H18FN3O2/c20-15-7-5-13(6-8-15)19(24)23-9-1-3-14(12-23)16-11-17(22-21-16)18-4-2-10-25-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,21,22)/t14-/m0/s1
InChIKeyHJYPJEOVEWFYAR-AWEZNQCLSA-N
MW339.37 g/mol
LogP3.83
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 141288563) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID141288563
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2cc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C19H18FN3O2/c20-15-7-5-13(6-8-15)19(24)23-9-1-3-14(12-23)16-11-17(22-21-16)18-4-2-10-25-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,21,22)/t14-/m0/s1
InChIKeyHJYPJEOVEWFYAR-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 141288563) is (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2cc(-c3ccco3)n[nH]2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is HJYPJEOVEWFYAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-7-5-13(6-8-15)19(24)23-9-1-3-14(12-23)16-11-17(22-21-16)18-4-2-10-25-18/h2,4-8,10-11,14H,1,3,9,12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-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 (4-fluorophenyl)-[(3S)-3-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 141288563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).