N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O3 — CID 86852234

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)C(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C16H21N3O3/c1-8-7-13(12(5)22-8)9(2)17-16(21)15(20)14-10(3)18-19(6)11(14)4/h7,9H,1-6H3,(H,17,21)
InChIKeyQGEWPUTXHURFDI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86852234) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86852234
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)C(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C16H21N3O3/c1-8-7-13(12(5)22-8)9(2)17-16(21)15(20)14-10(3)18-19(6)11(14)4/h7,9H,1-6H3,(H,17,21)
InChIKeyQGEWPUTXHURFDI-UHFFFAOYSA-N
XLogP2.31
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134015996
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134056578
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 116677534
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110001567
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644
N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86923775
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86852234) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(C(C)NC(=O)C(=O)c2c(C)nn(C)c2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is QGEWPUTXHURFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-8-7-13(12(5)22-8)9(2)17-16(21)15(20)14-10(3)18-19(6)11(14)4/h7,9H,1-6H3,(H,17,21).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).