1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one

C21H17N3O — CID 135355172

IUPAC1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H17N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyAJGADVRXPVDAHX-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.90
Rot. Bonds3

About 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one

1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355172) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
PubChem CID135355172
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H17N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyAJGADVRXPVDAHX-UHFFFAOYSA-N
XLogP3.90
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one (CID 135355172) is 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cnn(-c3ccccc3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
The InChIKey is AJGADVRXPVDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-23-15-20(19(12-21(23)25)16-8-4-2-5-9-16)17-13-22-24(14-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one has a molecular weight of 327.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).