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

C15H13N3O — CID 91549682

IUPAC2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccncc2)[nH]n1Cc1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-10-14(13-6-8-16-9-7-13)17-18(15)11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyMMAPVGFZNRMKOW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.29
Rot. Bonds3

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

2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one (PubChem CID 91549682) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one
PubChem CID91549682
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccncc2)[nH]n1Cc1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-10-14(13-6-8-16-9-7-13)17-18(15)11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyMMAPVGFZNRMKOW-UHFFFAOYSA-N
XLogP2.29
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-methyl-1H-pyrazol-3-one
CID 2384263
2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one
CID 121214288
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
CID 143774667
2-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10083077
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58200639
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
2-[(3-chlorophenyl)methyl]-5-phenyl-1H-pyrazole-3-thione
CID 63488213
methyl 2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)acetate
CID 121214256
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
2-(2-hydroxyethyl)-5-[4-[2-(2-hydroxyethyl)-3-oxo-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-one
CID 139222385
4-(4-benzylphenyl)pyridine
CID 174553937
1-benzyl-4-pyridin-4-ylpyrrole-2-carbaldehyde
CID 123471961

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one?
The IUPAC name of 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one (CID 91549682) is 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one is O=c1cc(-c2ccncc2)[nH]n1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one?
The InChIKey is MMAPVGFZNRMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-10-14(13-6-8-16-9-7-13)17-18(15)11-12-4-2-1-3-5-12/h1-10,17H,11H2.
What are the key properties of 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one?
2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one is sourced from PubChem (CID 91549682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).