4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one

C25H25N3O2 — CID 135355369

IUPAC4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H25N3O2/c1-4-30-24-14-25(29)27(3)17-23(24)22-15-26-28(16-22)18(2)19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-18H,4H2,1-3H3
InChIKeyGAHZWMFSURZOOO-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.92
Rot. Bonds6

About 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355369) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355369
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H25N3O2/c1-4-30-24-14-25(29)27(3)17-23(24)22-15-26-28(16-22)18(2)19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-18H,4H2,1-3H3
InChIKeyGAHZWMFSURZOOO-UHFFFAOYSA-N
XLogP4.92
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (CID 135355369) is 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is GAHZWMFSURZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-30-24-14-25(29)27(3)17-23(24)22-15-26-28(16-22)18(2)19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-18H,4H2,1-3H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 399.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-[1-(4-phenylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).