N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C28H25N5O4 — CID 3950576

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H25N5O4/c1-19-24(25(35)33(31(19)2)22-16-10-5-11-17-22)29-23(34)18-32-26(36)28(30-27(32)37,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17H,18H2,1-2H3,(H,29,34)(H,30,37)
InChIKeyCZFLKBQAPBBQBU-UHFFFAOYSA-N
MW495.54 g/mol
LogP2.92
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 3950576) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID3950576
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H25N5O4/c1-19-24(25(35)33(31(19)2)22-16-10-5-11-17-22)29-23(34)18-32-26(36)28(30-27(32)37,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17H,18H2,1-2H3,(H,29,34)(H,30,37)
InChIKeyCZFLKBQAPBBQBU-UHFFFAOYSA-N
XLogP2.92
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 52.92
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

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 9327323
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2112077
1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-oxo-3,3-diphenylindole-5-carboxylic acid
CID 3063353
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98208541
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 9375107
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
2-(2,3-dihydroindol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22199899
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 3950576) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is Cc1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is CZFLKBQAPBBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-19-24(25(35)33(31(19)2)22-16-10-5-11-17-22)29-23(34)18-32-26(36)28(30-27(32)37,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17H,18H2,1-2H3,(H,29,34)(H,30,37).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 495.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 3950576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).