N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

C23H21ClN4O4 — CID 31976483

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C23H21ClN4O4/c1-32-12-4-11-27-22(30)17-8-7-15(13-18(17)23(27)31)21(29)26-20-9-10-25-28(20)14-16-5-2-3-6-19(16)24/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,26,29)
InChIKeyIWERVKSUJSOSHR-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.47
Rot. Bonds8

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31976483) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID31976483
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3ccccc3Cl)cc2C1=O
InChIInChI=1S/C23H21ClN4O4/c1-32-12-4-11-27-22(30)17-8-7-15(13-18(17)23(27)31)21(29)26-20-9-10-25-28(20)14-16-5-2-3-6-19(16)24/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,26,29)
InChIKeyIWERVKSUJSOSHR-UHFFFAOYSA-N
XLogP3.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide 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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-(2-ethoxy-3-pyridinyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55678774
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
2-[(2-chlorophenyl)methyl]-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 39042783
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78828271
(2-methylphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738451
[(1S)-1-(2-chlorophenyl)ethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738478
2-(3-methoxypropyl)-1,3-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 17496752
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9482083

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (CID 31976483) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3ccccc3Cl)cc2C1=O.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IWERVKSUJSOSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-32-12-4-11-27-22(30)17-8-7-15(13-18(17)23(27)31)21(29)26-20-9-10-25-28(20)14-16-5-2-3-6-19(16)24/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,26,29).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 452.90 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31976483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).