4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one

C21H25N3O2 — CID 135355218

IUPAC4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-5-26-20-10-21(25)23(4)14-19(20)18-11-22-24(13-18)12-16-6-8-17(9-7-16)15(2)3/h6-11,13-15H,5,12H2,1-4H3
InChIKeyBZDWFWRBGGJHOF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds6

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

4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355218) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355218
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-5-26-20-10-21(25)23(4)14-19(20)18-11-22-24(13-18)12-16-6-8-17(9-7-16)15(2)3/h6-11,13-15H,5,12H2,1-4H3
InChIKeyBZDWFWRBGGJHOF-UHFFFAOYSA-N
XLogP3.82
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one (CID 135355218) is 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is BZDWFWRBGGJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-5-26-20-10-21(25)23(4)14-19(20)18-11-22-24(13-18)12-16-6-8-17(9-7-16)15(2)3/h6-11,13-15H,5,12H2,1-4H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.82, 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-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).