5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one

C17H15Cl2N3O2 — CID 135355247

IUPAC5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-3-24-15-7-16(23)21(2)10-12(15)11-8-20-22(9-11)17-13(18)5-4-6-14(17)19/h4-10H,3H2,1-2H3
InChIKeyPWANSSUMAFQTLC-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.94
Rot. Bonds4

About 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one

5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one (PubChem CID 135355247) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one
PubChem CID135355247
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-3-24-15-7-16(23)21(2)10-12(15)11-8-20-22(9-11)17-13(18)5-4-6-14(17)19/h4-10H,3H2,1-2H3
InChIKeyPWANSSUMAFQTLC-UHFFFAOYSA-N
XLogP3.94
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one (CID 135355247) is 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one?
The InChIKey is PWANSSUMAFQTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-3-24-15-7-16(23)21(2)10-12(15)11-8-20-22(9-11)17-13(18)5-4-6-14(17)19/h4-10H,3H2,1-2H3.
What are the key properties of 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one?
5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one has a molecular weight of 364.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dichlorophenyl)pyrazol-4-yl]-4-ethoxy-1-methylpyridin-2-one is sourced from PubChem (CID 135355247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).