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

C14H11N3O — CID 14050877

IUPAC5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccc2)=NN1c1ccccn1
InChIInChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-9H,10H2
InChIKeyWOMZEWNZGULGJE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.22
Rot. Bonds2

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

5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 14050877) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID14050877
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccc2)=NN1c1ccccn1
InChIInChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-9H,10H2
InChIKeyWOMZEWNZGULGJE-UHFFFAOYSA-N
XLogP2.22
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one (CID 14050877) is 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one is O=C1CC(c2ccccc2)=NN1c1ccccn1.
What is the InChIKey of 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is WOMZEWNZGULGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-9H,10H2.
What are the key properties of 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one?
5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 237.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 14050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).