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

C17H17N3O2 — CID 135355486

IUPAC4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H17N3O2/c1-3-22-16-9-17(21)19(2)12-15(16)13-10-18-20(11-13)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyZWPSQQICIFVKLF-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.64
Rot. Bonds4

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

4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355486) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
PubChem CID135355486
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H17N3O2/c1-3-22-16-9-17(21)19(2)12-15(16)13-10-18-20(11-13)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyZWPSQQICIFVKLF-UHFFFAOYSA-N
XLogP2.64
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.64
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-phenylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one (CID 135355486) is 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
The InChIKey is ZWPSQQICIFVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-22-16-9-17(21)19(2)12-15(16)13-10-18-20(11-13)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one?
4-ethoxy-1-methyl-5-(1-phenylpyrazol-4-yl)pyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.64, 4 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-phenylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).