N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide

C15H13N3O2S — CID 17341539

IUPACN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C15H13N3O2S/c19-14(9-12-7-4-8-21-12)16-13-10-15(20)18(17-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17,19)
InChIKeyUECPKNYBLQXYQV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.16
Rot. Bonds3

About N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide

N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 17341539) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID17341539
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C15H13N3O2S/c19-14(9-12-7-4-8-21-12)16-13-10-15(20)18(17-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17,19)
InChIKeyUECPKNYBLQXYQV-UHFFFAOYSA-N
XLogP2.16
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 42804083
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 25020985
2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341580
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (CID 17341539) is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is UECPKNYBLQXYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(9-12-7-4-8-21-12)16-13-10-15(20)18(17-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17,19).
What are the key properties of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 17341539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).