5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one

C22H17F2N3O — CID 135355182

IUPAC5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one
SMILESO=c1cc(-c2ccccc2)c(-c2cnn(Cc3ccccc3)c2)cn1C(F)F
InChIInChI=1S/C22H17F2N3O/c23-22(24)27-15-20(19(11-21(27)28)17-9-5-2-6-10-17)18-12-25-26(14-18)13-16-7-3-1-4-8-16/h1-12,14-15,22H,13H2
InChIKeyVPHJENZNRHUROY-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.82
Rot. Bonds5

About 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one (PubChem CID 135355182) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one
PubChem CID135355182
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one
SMILESO=c1cc(-c2ccccc2)c(-c2cnn(Cc3ccccc3)c2)cn1C(F)F
InChIInChI=1S/C22H17F2N3O/c23-22(24)27-15-20(19(11-21(27)28)17-9-5-2-6-10-17)18-12-25-26(14-18)13-16-7-3-1-4-8-16/h1-12,14-15,22H,13H2
InChIKeyVPHJENZNRHUROY-UHFFFAOYSA-N
XLogP4.82
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.82
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-(difluoromethyl)-4-phenylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one (CID 135355182) is 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one is O=c1cc(-c2ccccc2)c(-c2cnn(Cc3ccccc3)c2)cn1C(F)F.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one?
The InChIKey is VPHJENZNRHUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-22(24)27-15-20(19(11-21(27)28)17-9-5-2-6-10-17)18-12-25-26(14-18)13-16-7-3-1-4-8-16/h1-12,14-15,22H,13H2.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-(difluoromethyl)-4-phenylpyridin-2-one has a molecular weight of 377.39 g/mol, XLogP of 4.82, 5 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-(difluoromethyl)-4-phenylpyridin-2-one is sourced from PubChem (CID 135355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).