3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one

C15H14FN3O — CID 166306441

IUPAC3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(c2cc(-c3ccc(F)cn3)n(C)n2)CCC1=O
InChIInChI=1S/C15H14FN3O/c1-9-11(4-6-15(9)20)13-7-14(19(2)18-13)12-5-3-10(16)8-17-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyPWSJHNPCDDKLCK-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.76
Rot. Bonds2

About 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one

3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one (PubChem CID 166306441) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one
PubChem CID166306441
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(c2cc(-c3ccc(F)cn3)n(C)n2)CCC1=O
InChIInChI=1S/C15H14FN3O/c1-9-11(4-6-15(9)20)13-7-14(19(2)18-13)12-5-3-10(16)8-17-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyPWSJHNPCDDKLCK-UHFFFAOYSA-N
XLogP2.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one (CID 166306441) is 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one is CC1=C(c2cc(-c3ccc(F)cn3)n(C)n2)CCC1=O.
What is the InChIKey of 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one?
The InChIKey is PWSJHNPCDDKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-11(4-6-15(9)20)13-7-14(19(2)18-13)12-5-3-10(16)8-17-12/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one?
3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one has a molecular weight of 271.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 166306441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).