2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide

C17H19N5O4 — CID 90653845

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(-n2cc(C(C)NC(=O)CN3C(=O)CNC3=O)cn2)cc1
InChIInChI=1S/C17H19N5O4/c1-11(20-15(23)10-21-16(24)8-18-17(21)25)12-7-19-22(9-12)13-3-5-14(26-2)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,18,25)(H,20,23)
InChIKeyPKTRZOMCDNBWQF-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.61
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide (PubChem CID 90653845) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
PubChem CID90653845
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(-n2cc(C(C)NC(=O)CN3C(=O)CNC3=O)cn2)cc1
InChIInChI=1S/C17H19N5O4/c1-11(20-15(23)10-21-16(24)8-18-17(21)25)12-7-19-22(9-12)13-3-5-14(26-2)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,18,25)(H,20,23)
InChIKeyPKTRZOMCDNBWQF-UHFFFAOYSA-N
XLogP0.61
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
CID 125164865
3-acetamido-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125159370
2-ethylsulfanyl-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 125159919
2-ethylsulfanyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 118760994
3-(azepan-1-yl)-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125175106
N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124136
2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
CID 163341143
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 77097457
methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60638121
1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664827
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439129

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide (CID 90653845) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide is COc1ccc(-n2cc(C(C)NC(=O)CN3C(=O)CNC3=O)cn2)cc1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide?
The InChIKey is PKTRZOMCDNBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-11(20-15(23)10-21-16(24)8-18-17(21)25)12-7-19-22(9-12)13-3-5-14(26-2)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,18,25)(H,20,23).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 90653845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).