1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one

C24H23N3O2 — CID 135355347

IUPAC1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccccc2)cn1
InChIInChI=1S/C24H23N3O2/c1-18(20-11-7-4-8-12-20)27-15-21(14-25-27)22-16-26(2)24(28)13-23(22)29-17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3
InChIKeyXEKGESHSCFHZRB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.44
Rot. Bonds6

About 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one

1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 135355347) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one
PubChem CID135355347
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccccc2)cn1
InChIInChI=1S/C24H23N3O2/c1-18(20-11-7-4-8-12-20)27-15-21(14-25-27)22-16-26(2)24(28)13-23(22)29-17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3
InChIKeyXEKGESHSCFHZRB-UHFFFAOYSA-N
XLogP4.44
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one (CID 135355347) is 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OCc2ccccc2)cn1.
What is the InChIKey of 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is XEKGESHSCFHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-18(20-11-7-4-8-12-20)27-15-21(14-25-27)22-16-26(2)24(28)13-23(22)29-17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3.
What are the key properties of 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one?
1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 135355347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).