5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one

C21H18N4O — CID 135355542

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccn2)cc1=O
InChIInChI=1S/C21H18N4O/c1-24-15-19(18(11-21(24)26)20-9-5-6-10-22-20)17-12-23-25(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3
InChIKeyAGOBCKMKTJPDOS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.36
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one (PubChem CID 135355542) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one
PubChem CID135355542
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccn2)cc1=O
InChIInChI=1S/C21H18N4O/c1-24-15-19(18(11-21(24)26)20-9-5-6-10-22-20)17-12-23-25(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3
InChIKeyAGOBCKMKTJPDOS-UHFFFAOYSA-N
XLogP3.36
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one (CID 135355542) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccccn2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one?
The InChIKey is AGOBCKMKTJPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-24-15-19(18(11-21(24)26)20-9-5-6-10-22-20)17-12-23-25(14-17)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 135355542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).