2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H19N3O2 — CID 84962872

IUPAC2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10(13-8-6-5-7-9-13)17-16(21)15(20)14-11(2)18-19(4)12(14)3/h5-10H,1-4H3,(H,17,21)
InChIKeyNDHIAYXWIGPVET-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds4

About 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 84962872) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID84962872
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10(13-8-6-5-7-9-13)17-16(21)15(20)14-11(2)18-19(4)12(14)3/h5-10H,1-4H3,(H,17,21)
InChIKeyNDHIAYXWIGPVET-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110001567
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134015996
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86852234
N-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52621902
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825273
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825272
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51096099
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134056578
N-[4-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 55916937
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 84962872) is 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NDHIAYXWIGPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(13-8-6-5-7-9-13)17-16(21)15(20)14-11(2)18-19(4)12(14)3/h5-10H,1-4H3,(H,17,21).
What are the key properties of 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 84962872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).