3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide

C17H19N5O3 — CID 110204659

IUPAC3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCn1cccn1
InChIInChI=1S/C17H19N5O3/c23-15(18-10-12-21-11-4-9-19-21)8-7-14-16(24)22(17(25)20-14)13-5-2-1-3-6-13/h1-6,9,11,14H,7-8,10,12H2,(H,18,23)(H,20,25)/t14-/m0/s1
InChIKeyNIHKZWJGRVQSNL-AWEZNQCLSA-N
MW341.37 g/mol
LogP0.90
Rot. Bonds7

About 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide

3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 110204659) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID110204659
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCn1cccn1
InChIInChI=1S/C17H19N5O3/c23-15(18-10-12-21-11-4-9-19-21)8-7-14-16(24)22(17(25)20-14)13-5-2-1-3-6-13/h1-6,9,11,14H,7-8,10,12H2,(H,18,23)(H,20,25)/t14-/m0/s1
InChIKeyNIHKZWJGRVQSNL-AWEZNQCLSA-N
XLogP0.90
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.90
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

3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 110205196
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 110205419
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 124854337
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide (CID 110204659) is 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide is O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCn1cccn1.
What is the InChIKey of 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is NIHKZWJGRVQSNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15(18-10-12-21-11-4-9-19-21)8-7-14-16(24)22(17(25)20-14)13-5-2-1-3-6-13/h1-6,9,11,14H,7-8,10,12H2,(H,18,23)(H,20,25)/t14-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 341.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 110204659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).