N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C24H17ClN4O4 — CID 55481067

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H17ClN4O4/c1-14-10-21(29(27-14)17-5-2-4-16(25)12-17)26-22(30)15-7-8-19-20(11-15)24(32)28(23(19)31)13-18-6-3-9-33-18/h2-12H,13H2,1H3,(H,26,30)
InChIKeyAKZOOMPCIOLFCH-UHFFFAOYSA-N
MW460.88 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55481067) has the molecular formula C24H17ClN4O4 and a molecular weight of 460.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55481067
Molecular FormulaC24H17ClN4O4
Molecular Weight460.88 g/mol
Exact Mass460.09
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H17ClN4O4/c1-14-10-21(29(27-14)17-5-2-4-16(25)12-17)26-22(30)15-7-8-19-20(11-15)24(32)28(23(19)31)13-18-6-3-9-33-18/h2-12H,13H2,1H3,(H,26,30)
InChIKeyAKZOOMPCIOLFCH-UHFFFAOYSA-N
XLogP4.48
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-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

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 46797627
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108730087
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
2-(furan-2-ylmethyl)-N-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 39753467
2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 26066325

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 55481067) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AKZOOMPCIOLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O4/c1-14-10-21(29(27-14)17-5-2-4-16(25)12-17)26-22(30)15-7-8-19-20(11-15)24(32)28(23(19)31)13-18-6-3-9-33-18/h2-12H,13H2,1H3,(H,26,30).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 460.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55481067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).