N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide

C15H14N4O3 — CID 171706171

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C15H14N4O3/c1-18-8-9(7-16-18)5-13(20)17-10-3-4-11-12(6-10)15(22)19(2)14(11)21/h3-4,6-8H,5H2,1-2H3,(H,17,20)
InChIKeyUHHYFMQSDVSXMS-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.83
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 171706171) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID171706171
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3cnn(C)c3)cc2C1=O
InChIInChI=1S/C15H14N4O3/c1-18-8-9(7-16-18)5-13(20)17-10-3-4-11-12(6-10)15(22)19(2)14(11)21/h3-4,6-8H,5H2,1-2H3,(H,17,20)
InChIKeyUHHYFMQSDVSXMS-UHFFFAOYSA-N
XLogP0.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-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

Related Compounds

2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
CID 171706120
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
CID 171706123
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
2-(1-aminocyclobutyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 79842925

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 171706171) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cc3cnn(C)c3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is UHHYFMQSDVSXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-18-8-9(7-16-18)5-13(20)17-10-3-4-11-12(6-10)15(22)19(2)14(11)21/h3-4,6-8H,5H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 171706171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).