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

C20H19N5O — CID 135355148

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C20H19N5O/c1-23-14-19(18(8-20(23)26)16-9-21-24(2)12-16)17-10-22-25(13-17)11-15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3
InChIKeyPEUAZXKRGSIHCK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.70
Rot. Bonds4

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

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355148) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID135355148
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C20H19N5O/c1-23-14-19(18(8-20(23)26)16-9-21-24(2)12-16)17-10-22-25(13-17)11-15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3
InChIKeyPEUAZXKRGSIHCK-UHFFFAOYSA-N
XLogP2.70
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzylpyrazol-4-yl)-1-methyl-4-methylsulfonylpyridin-2-one
CID 140929105
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
CID 140929068
1-methyl-5-[1-(methylsulfonylmethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
CID 135355336
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
(3S)-4-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylmorpholine-3-carboxamide
CID 146551927
5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355469
2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]ethanesulfinate
CID 135355333
N-[(3R)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 135355362
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidine-3-carboxylic acid;propanamide
CID 135355563
5-(1-benzylpyrazol-4-yl)-4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]-1-methylpyridin-2-one
CID 146627596
3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
CID 135567465
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one (CID 135355148) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)cn1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is PEUAZXKRGSIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-23-14-19(18(8-20(23)26)16-9-21-24(2)12-16)17-10-22-25(13-17)11-15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 345.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).