N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C24H24N4O3 — CID 46476578

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C24H24N4O3/c1-16-15-17(2)28(26-16)19-9-7-18(8-10-19)11-13-25-22(29)12-14-27-23(30)20-5-3-4-6-21(20)24(27)31/h3-10,15H,11-14H2,1-2H3,(H,25,29)
InChIKeyIAYMIGFIGQIVTK-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 46476578) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID46476578
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C24H24N4O3/c1-16-15-17(2)28(26-16)19-9-7-18(8-10-19)11-13-25-22(29)12-14-27-23(30)20-5-3-4-6-21(20)24(27)31/h3-10,15H,11-14H2,1-2H3,(H,25,29)
InChIKeyIAYMIGFIGQIVTK-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55707004
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
CID 113202430
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]propanamide
CID 110666502
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
3-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55507513
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 55379953
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 46476578) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(C)n(-c2ccc(CCNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is IAYMIGFIGQIVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-15-17(2)28(26-16)19-9-7-18(8-10-19)11-13-25-22(29)12-14-27-23(30)20-5-3-4-6-21(20)24(27)31/h3-10,15H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 416.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 46476578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).