2,5-dipyridin-2-yl-4H-pyrazol-3-one

C13H10N4O — CID 131887885

IUPAC2,5-dipyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccn2)=NN1c1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-9-11(10-5-1-3-7-14-10)16-17(13)12-6-2-4-8-15-12/h1-8H,9H2
InChIKeyKAEAPJMDTNGFFX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.62
Rot. Bonds2

About 2,5-dipyridin-2-yl-4H-pyrazol-3-one

2,5-dipyridin-2-yl-4H-pyrazol-3-one (PubChem CID 131887885) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,5-dipyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dipyridin-2-yl-4H-pyrazol-3-one
PubChem CID131887885
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2,5-dipyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccn2)=NN1c1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-9-11(10-5-1-3-7-14-10)16-17(13)12-6-2-4-8-15-12/h1-8H,9H2
InChIKeyKAEAPJMDTNGFFX-UHFFFAOYSA-N
XLogP1.62
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2,5-dipyridin-2-yl-4H-pyrazol-3-one (CID 131887885) is 2,5-dipyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2,5-dipyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2,5-dipyridin-2-yl-4H-pyrazol-3-one is O=C1CC(c2ccccn2)=NN1c1ccccn1.
What is the InChIKey of 2,5-dipyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is KAEAPJMDTNGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-9-11(10-5-1-3-7-14-10)16-17(13)12-6-2-4-8-15-12/h1-8H,9H2.
What are the key properties of 2,5-dipyridin-2-yl-4H-pyrazol-3-one?
2,5-dipyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 238.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 131887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).