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

C20H23N3O2 — CID 135355250

IUPAC4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-5-25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-14(2)7-9-16/h6-13,15H,5H2,1-4H3
InChIKeyGJOMODQCCALRGC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.57
Rot. Bonds5

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

4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355250) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355250
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-5-25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-14(2)7-9-16/h6-13,15H,5H2,1-4H3
InChIKeyGJOMODQCCALRGC-UHFFFAOYSA-N
XLogP3.57
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.57
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-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one (CID 135355250) is 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2ccc(C)cc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is GJOMODQCCALRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-25-19-10-20(24)22(4)13-18(19)17-11-21-23(12-17)15(3)16-8-6-14(2)7-9-16/h6-13,15H,5H2,1-4H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[1-(4-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.57, 5 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-methylphenyl)ethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).