2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide

C23H20Cl2N4O3 — CID 55391273

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C23H20Cl2N4O3/c1-12-18(13(2)29(27-12)15-7-5-4-6-8-15)11-26-21(30)14(3)28-22(31)16-9-19(24)20(25)10-17(16)23(28)32/h4-10,14H,11H2,1-3H3,(H,26,30)
InChIKeyXLZQBYJEPRIMLJ-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.10
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 55391273) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID55391273
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C23H20Cl2N4O3/c1-12-18(13(2)29(27-12)15-7-5-4-6-8-15)11-26-21(30)14(3)28-22(31)16-9-19(24)20(25)10-17(16)23(28)32/h4-10,14H,11H2,1-3H3,(H,26,30)
InChIKeyXLZQBYJEPRIMLJ-UHFFFAOYSA-N
XLogP4.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide 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

5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337856
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784550
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide (CID 55391273) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is XLZQBYJEPRIMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c1-12-18(13(2)29(27-12)15-7-5-4-6-8-15)11-26-21(30)14(3)28-22(31)16-9-19(24)20(25)10-17(16)23(28)32/h4-10,14H,11H2,1-3H3,(H,26,30).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 471.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 55391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).