2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one

C13H10N4O — CID 59186947

IUPAC2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H
InChIKeyZAHLNBNEUSTJDY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.62
Rot. Bonds2

About 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one

2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 59186947) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID59186947
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H
InChIKeyZAHLNBNEUSTJDY-UHFFFAOYSA-N
XLogP1.62
TPSA63.57 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one (CID 59186947) is 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one is O=c1c(-c2cccnc2)c[nH]n1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is ZAHLNBNEUSTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H.
What are the key properties of 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 238.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59186947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).