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

C14H17N3O2S — CID 56710240

IUPAC2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)C(=O)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-8(12-9(2)16-17(4)10(12)3)15-14(19)13(18)11-6-5-7-20-11/h5-8H,1-4H3,(H,15,19)
InChIKeyQWACTOOAVNXXFW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.16
Rot. Bonds4

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

2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 56710240) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID56710240
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)C(=O)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-8(12-9(2)16-17(4)10(12)3)15-14(19)13(18)11-6-5-7-20-11/h5-8H,1-4H3,(H,15,19)
InChIKeyQWACTOOAVNXXFW-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.16
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

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2-thiophenecarbohydrazide
CID 3830565
1-[3,5-Dimethyl-1-(thiophene-2-carbonyl)pyrazol-4-yl]ethanone
CID 712603
1-(2-thienyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
CID 5998314
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 164619960
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]propanamide
CID 20919700
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]acetamide
CID 20919610
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]acetamide
CID 20919634

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 56710240) is 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1C(C)NC(=O)C(=O)c1cccs1.
What is the InChIKey of 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is QWACTOOAVNXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(12-9(2)16-17(4)10(12)3)15-14(19)13(18)11-6-5-7-20-11/h5-8H,1-4H3,(H,15,19).
What are the key properties of 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-thiophen-2-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 56710240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).