1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide

C27H23N5O3 — CID 55617368

IUPAC1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c33-24-15-28-27(35)32(24)17-20-10-7-13-22(14-20)29-26(34)23-18-31(16-19-8-3-1-4-9-19)30-25(23)21-11-5-2-6-12-21/h1-14,18H,15-17H2,(H,28,35)(H,29,34)
InChIKeyRZHXPMUNKRATTA-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.90
Rot. Bonds7

About 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide

1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 55617368) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
PubChem CID55617368
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O3/c33-24-15-28-27(35)32(24)17-20-10-7-13-22(14-20)29-26(34)23-18-31(16-19-8-3-1-4-9-19)30-25(23)21-11-5-2-6-12-21/h1-14,18H,15-17H2,(H,28,35)(H,29,34)
InChIKeyRZHXPMUNKRATTA-UHFFFAOYSA-N
XLogP3.90
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.90
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

1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 36665052
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
CID 55961871
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 55635640
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide (CID 55617368) is 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is RZHXPMUNKRATTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c33-24-15-28-27(35)32(24)17-20-10-7-13-22(14-20)29-26(34)23-18-31(16-19-8-3-1-4-9-19)30-25(23)21-11-5-2-6-12-21/h1-14,18H,15-17H2,(H,28,35)(H,29,34).
What are the key properties of 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55617368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).