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

C14H11N3O — CID 24844329

IUPAC5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1ccncc1
InChIInChI=1S/C14H11N3O/c18-14-10-13(11-4-2-1-3-5-11)16-17(14)12-6-8-15-9-7-12/h1-10,16H
InChIKeyNUEUUBNPSIJXDW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.23
Rot. Bonds2

About 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one

5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one (PubChem CID 24844329) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one
PubChem CID24844329
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1ccncc1
InChIInChI=1S/C14H11N3O/c18-14-10-13(11-4-2-1-3-5-11)16-17(14)12-6-8-15-9-7-12/h1-10,16H
InChIKeyNUEUUBNPSIJXDW-UHFFFAOYSA-N
XLogP2.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one?
The IUPAC name of 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one (CID 24844329) is 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one is O=c1cc(-c2ccccc2)[nH]n1-c1ccncc1.
What is the InChIKey of 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one?
The InChIKey is NUEUUBNPSIJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-10-13(11-4-2-1-3-5-11)16-17(14)12-6-8-15-9-7-12/h1-10,16H.
What are the key properties of 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one?
5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one has a molecular weight of 237.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyridin-4-yl-1H-pyrazol-3-one is sourced from PubChem (CID 24844329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).