N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

C18H21N5O3 — CID 97156487

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN1C(=O)[C@H](CC(=O)NCc2cnn(Cc3ccccc3)c2)N(C)C1=O
InChIInChI=1S/C18H21N5O3/c1-21-15(17(25)22(2)18(21)26)8-16(24)19-9-14-10-20-23(12-14)11-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyKLWJWWGWETZUOT-HNNXBMFYSA-N
MW355.40 g/mol
LogP0.83
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 97156487) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID97156487
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN1C(=O)[C@H](CC(=O)NCc2cnn(Cc3ccccc3)c2)N(C)C1=O
InChIInChI=1S/C18H21N5O3/c1-21-15(17(25)22(2)18(21)26)8-16(24)19-9-14-10-20-23(12-14)11-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyKLWJWWGWETZUOT-HNNXBMFYSA-N
XLogP0.83
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 99972089
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118508
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 74230305
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
2-[[(1-benzylpyrazol-4-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129185
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (CID 97156487) is N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is CN1C(=O)[C@H](CC(=O)NCc2cnn(Cc3ccccc3)c2)N(C)C1=O.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is KLWJWWGWETZUOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21-15(17(25)22(2)18(21)26)8-16(24)19-9-14-10-20-23(12-14)11-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 97156487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).