N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C24H24N4O3 — CID 60570752

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H24N4O3/c1-2-24(13-12-21(29)27-23(24)31)18-6-8-19(9-7-18)26-22(30)16-17-4-10-20(11-5-17)28-15-3-14-25-28/h3-11,14-15H,2,12-13,16H2,1H3,(H,26,30)(H,27,29,31)
InChIKeyCTLZYLCMUXXKQK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.14
Rot. Bonds6

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 60570752) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID60570752
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H24N4O3/c1-2-24(13-12-21(29)27-23(24)31)18-6-8-19(9-7-18)26-22(30)16-17-4-10-20(11-5-17)28-15-3-14-25-28/h3-11,14-15H,2,12-13,16H2,1H3,(H,26,30)(H,27,29,31)
InChIKeyCTLZYLCMUXXKQK-UHFFFAOYSA-N
XLogP3.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-propan-2-yloxypropanamide
CID 60570514
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86840062
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60570782
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570697
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
N-(9H-fluoren-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472205
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 60570752) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is CCC1(c2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is CTLZYLCMUXXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-2-24(13-12-21(29)27-23(24)31)18-6-8-19(9-7-18)26-22(30)16-17-4-10-20(11-5-17)28-15-3-14-25-28/h3-11,14-15H,2,12-13,16H2,1H3,(H,26,30)(H,27,29,31).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 60570752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).