1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C18H19N3O — CID 135355230

IUPAC1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCc1cc(-c2cnn(C(C)c3ccccc3)c2)cn(C)c1=O
InChIInChI=1S/C18H19N3O/c1-13-9-16(11-20(3)18(13)22)17-10-19-21(12-17)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3
InChIKeyRGGCGLCKTILNRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.17
Rot. Bonds3

About 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355230) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355230
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCc1cc(-c2cnn(C(C)c3ccccc3)c2)cn(C)c1=O
InChIInChI=1S/C18H19N3O/c1-13-9-16(11-20(3)18(13)22)17-10-19-21(12-17)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3
InChIKeyRGGCGLCKTILNRR-UHFFFAOYSA-N
XLogP3.17
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355230) is 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is Cc1cc(-c2cnn(C(C)c3ccccc3)c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is RGGCGLCKTILNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-9-16(11-20(3)18(13)22)17-10-19-21(12-17)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3.
What are the key properties of 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).