5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one

C23H21N3O — CID 135355190

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O/c1-17-7-6-10-19(11-17)21-12-23(27)25(2)16-22(21)20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3
InChIKeyZAIRYEBACCCXKE-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.27
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one (PubChem CID 135355190) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one
PubChem CID135355190
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O/c1-17-7-6-10-19(11-17)21-12-23(27)25(2)16-22(21)20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3
InChIKeyZAIRYEBACCCXKE-UHFFFAOYSA-N
XLogP4.27
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one (CID 135355190) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one is Cc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one?
The InChIKey is ZAIRYEBACCCXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17-7-6-10-19(11-17)21-12-23(27)25(2)16-22(21)20-13-24-26(15-20)14-18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 135355190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).