N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C25H27N5O3 — CID 134014018

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)C1=O
InChIInChI=1S/C25H27N5O3/c1-4-25(19-11-7-5-8-12-19)23(32)29(24(33)27-25)16-22(31)26-15-21-17(2)28-30(18(21)3)20-13-9-6-10-14-20/h5-14H,4,15-16H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyVQVRJMIHRDMCAZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.96
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 134014018) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID134014018
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)C1=O
InChIInChI=1S/C25H27N5O3/c1-4-25(19-11-7-5-8-12-19)23(32)29(24(33)27-25)16-22(31)26-15-21-17(2)28-30(18(21)3)20-13-9-6-10-14-20/h5-14H,4,15-16H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyVQVRJMIHRDMCAZ-UHFFFAOYSA-N
XLogP2.96
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.96
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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43036621
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7704200
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51929516
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7487201

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 134014018) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)C1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is VQVRJMIHRDMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-4-25(19-11-7-5-8-12-19)23(32)29(24(33)27-25)16-22(31)26-15-21-17(2)28-30(18(21)3)20-13-9-6-10-14-20/h5-14H,4,15-16H2,1-3H3,(H,26,31)(H,27,33).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 134014018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).