2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one

C15H12FN3O — CID 3816222

IUPAC2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one
SMILESCc1c(-c2ccccn2)c(=O)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c1-10-14(13-4-2-3-9-17-13)15(20)18-19(10)12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20)
InChIKeyQZZHZDLTRHSVBX-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.68
Rot. Bonds2

About 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one

2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one (PubChem CID 3816222) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one
PubChem CID3816222
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one
SMILESCc1c(-c2ccccn2)c(=O)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c1-10-14(13-4-2-3-9-17-13)15(20)18-19(10)12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20)
InChIKeyQZZHZDLTRHSVBX-UHFFFAOYSA-N
XLogP2.68
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one (CID 3816222) is 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one is Cc1c(-c2ccccn2)c(=O)[nH]n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one?
The InChIKey is QZZHZDLTRHSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-14(13-4-2-3-9-17-13)15(20)18-19(10)12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one?
2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one has a molecular weight of 269.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-4-pyridin-2-yl-1H-pyrazol-5-one is sourced from PubChem (CID 3816222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).