N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H20ClN5O3 — CID 86883575

IUPACN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1=O
InChIInChI=1S/C22H20ClN5O3/c1-2-22(15-7-4-3-5-8-15)20(30)27(21(31)26-22)14-19(29)25-16-9-10-18(17(23)13-16)28-12-6-11-24-28/h3-13H,2,14H2,1H3,(H,25,29)(H,26,31)
InChIKeyYMYFDCYRJNVSBS-UHFFFAOYSA-N
MW437.89 g/mol
LogP3.32
Rot. Bonds6

About N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 86883575) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID86883575
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC NameN-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1=O
InChIInChI=1S/C22H20ClN5O3/c1-2-22(15-7-4-3-5-8-15)20(30)27(21(31)26-22)14-19(29)25-16-9-10-18(17(23)13-16)28-12-6-11-24-28/h3-13H,2,14H2,1H3,(H,25,29)(H,26,31)
InChIKeyYMYFDCYRJNVSBS-UHFFFAOYSA-N
XLogP3.32
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118394955
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 118146805
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 118146813
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]benzamide
CID 118146979
8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118395125
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 118720657
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-pyrrolidin-3-ylbenzamide
CID 118720659
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
CID 9117005
US12398120, Example 312
CID 156370180
3-[(1,3-Diphenylpyrazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7704876
(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42425157
(5S)-5-[(3,5-dichlorophenyl)methyl]-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 99797466

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 86883575) is N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1=O.
What is the InChIKey of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is YMYFDCYRJNVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-2-22(15-7-4-3-5-8-15)20(30)27(21(31)26-22)14-19(29)25-16-9-10-18(17(23)13-16)28-12-6-11-24-28/h3-13H,2,14H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 437.89 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 86883575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).