N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

C18H22N4O3 — CID 53050961

IUPACN-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C18H22N4O3/c1-13-3-5-14(6-4-13)15-11-17-21(12-16(23)19-8-10-25-2)18(24)7-9-22(17)20-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,23)
InChIKeyFQEJMIBYIMLMMG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.36
Rot. Bonds6

About N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 53050961) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID53050961
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C18H22N4O3/c1-13-3-5-14(6-4-13)15-11-17-21(12-16(23)19-8-10-25-2)18(24)7-9-22(17)20-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,23)
InChIKeyFQEJMIBYIMLMMG-UHFFFAOYSA-N
XLogP1.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide 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 N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 53050961) is N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is COCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(C)cc3)cc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is FQEJMIBYIMLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-3-5-14(6-4-13)15-11-17-21(12-16(23)19-8-10-25-2)18(24)7-9-22(17)20-15/h3-6,11H,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53050961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).