4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one

C16H14FN3O2 — CID 54549058

IUPAC4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(-c3ccc(F)cc3)nn2CCO)cc[nH]1
InChIInChI=1S/C16H14FN3O2/c17-13-3-1-11(2-4-13)14-10-15(20(19-14)7-8-21)12-5-6-18-16(22)9-12/h1-6,9-10,21H,7-8H2,(H,18,22)
InChIKeyZIPSZHBQKXGTQE-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.04
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one (PubChem CID 54549058) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one
PubChem CID54549058
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(-c3ccc(F)cc3)nn2CCO)cc[nH]1
InChIInChI=1S/C16H14FN3O2/c17-13-3-1-11(2-4-13)14-10-15(20(19-14)7-8-21)12-5-6-18-16(22)9-12/h1-6,9-10,21H,7-8H2,(H,18,22)
InChIKeyZIPSZHBQKXGTQE-UHFFFAOYSA-N
XLogP2.04
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one (CID 54549058) is 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one is O=c1cc(-c2cc(-c3ccc(F)cc3)nn2CCO)cc[nH]1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one?
The InChIKey is ZIPSZHBQKXGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-3-1-11(2-4-13)14-10-15(20(19-14)7-8-21)12-5-6-18-16(22)9-12/h1-6,9-10,21H,7-8H2,(H,18,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one?
4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one has a molecular weight of 299.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 54549058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).