2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide

C17H19N5O4 — CID 95897893

IUPAC2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C[C@H]3NC(=O)NC3=O)cn2)c1
InChIInChI=1S/C17H19N5O4/c1-21(15(23)7-14-16(24)20-17(25)19-14)9-11-8-18-22(10-11)12-4-3-5-13(6-12)26-2/h3-6,8,10,14H,7,9H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyXIVOERJLLJOLHN-CQSZACIVSA-N
MW357.37 g/mol
LogP0.44
Rot. Bonds6

About 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide

2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide (PubChem CID 95897893) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
PubChem CID95897893
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C[C@H]3NC(=O)NC3=O)cn2)c1
InChIInChI=1S/C17H19N5O4/c1-21(15(23)7-14-16(24)20-17(25)19-14)9-11-8-18-22(10-11)12-4-3-5-13(6-12)26-2/h3-6,8,10,14H,7,9H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyXIVOERJLLJOLHN-CQSZACIVSA-N
XLogP0.44
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 ≤ 50.44
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

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
CID 70731822
(4aR,6S,8aR)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163335027
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide (CID 95897893) is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide is COc1cccc(-n2cc(CN(C)C(=O)C[C@H]3NC(=O)NC3=O)cn2)c1.
What is the InChIKey of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The InChIKey is XIVOERJLLJOLHN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-21(15(23)7-14-16(24)20-17(25)19-14)9-11-8-18-22(10-11)12-4-3-5-13(6-12)26-2/h3-6,8,10,14H,7,9H2,1-2H3,(H2,19,20,24,25)/t14-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide has a molecular weight of 357.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 95897893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).