3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide

C16H16FN5O3 — CID 70767719

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C16H16FN5O3/c17-11-2-1-3-12(6-11)22-9-10(8-19-22)7-18-14(23)5-4-13-15(24)21-16(25)20-13/h1-3,6,8-9,13H,4-5,7H2,(H,18,23)(H2,20,21,24,25)
InChIKeyQSYDBOKMZISULQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.62
Rot. Bonds6

About 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide

3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide (PubChem CID 70767719) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
PubChem CID70767719
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C16H16FN5O3/c17-11-2-1-3-12(6-11)22-9-10(8-19-22)7-18-14(23)5-4-13-15(24)21-16(25)20-13/h1-3,6,8-9,13H,4-5,7H2,(H,18,23)(H2,20,21,24,25)
InChIKeyQSYDBOKMZISULQ-UHFFFAOYSA-N
XLogP0.62
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70729694
3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 70730130
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
CID 86284172
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70709981

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide (CID 70767719) is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide is O=C(CCC1NC(=O)NC1=O)NCc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The InChIKey is QSYDBOKMZISULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c17-11-2-1-3-12(6-11)22-9-10(8-19-22)7-18-14(23)5-4-13-15(24)21-16(25)20-13/h1-3,6,8-9,13H,4-5,7H2,(H,18,23)(H2,20,21,24,25).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide has a molecular weight of 345.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 70767719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).