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

C20H19N5O — CID 135355548

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one
SMILESCc1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)n[nH]1
InChIInChI=1S/C20H19N5O/c1-14-8-19(23-22-14)17-9-20(26)24(2)13-18(17)16-10-21-25(12-16)11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyGJHVMZMWHMYURT-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.00
Rot. Bonds4

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

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one (PubChem CID 135355548) 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-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one
PubChem CID135355548
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one
SMILESCc1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)n[nH]1
InChIInChI=1S/C20H19N5O/c1-14-8-19(23-22-14)17-9-20(26)24(2)13-18(17)16-10-21-25(12-16)11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyGJHVMZMWHMYURT-UHFFFAOYSA-N
XLogP3.00
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
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-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one (CID 135355548) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one is Cc1cc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)n[nH]1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one?
The InChIKey is GJHVMZMWHMYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-8-19(23-22-14)17-9-20(26)24(2)13-18(17)16-10-21-25(12-16)11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 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-(5-methyl-1H-pyrazol-3-yl)pyridin-2-one is sourced from PubChem (CID 135355548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).