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

C19H21N3O2 — CID 135355176

IUPAC4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O2/c1-4-24-18-9-19(23)21(3)13-17(18)16-10-20-22(12-16)11-15-7-5-14(2)6-8-15/h5-10,12-13H,4,11H2,1-3H3
InChIKeyHUNXBRUFOPUQDS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.00
Rot. Bonds5

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

4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355176) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355176
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O2/c1-4-24-18-9-19(23)21(3)13-17(18)16-10-20-22(12-16)11-15-7-5-14(2)6-8-15/h5-10,12-13H,4,11H2,1-3H3
InChIKeyHUNXBRUFOPUQDS-UHFFFAOYSA-N
XLogP3.00
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.00
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-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one (CID 135355176) is 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(C)cc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is HUNXBRUFOPUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-24-18-9-19(23)21(3)13-17(18)16-10-20-22(12-16)11-15-7-5-14(2)6-8-15/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 3.00, 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-[(4-methylphenyl)methyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).