2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide

C17H16N4O2S — CID 10065841

IUPAC2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N4O2S/c1-12(22)18-10-16(23)19-14-11-21(13-6-3-2-4-7-13)20-17(14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyVTGKNWMHFMSQER-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.68
Rot. Bonds5

About 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide

2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide (PubChem CID 10065841) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide
PubChem CID10065841
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N4O2S/c1-12(22)18-10-16(23)19-14-11-21(13-6-3-2-4-7-13)20-17(14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyVTGKNWMHFMSQER-UHFFFAOYSA-N
XLogP2.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42978930
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
[2-(4-acetamidoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530570
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 4641601
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 9339873
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10021679
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide (CID 10065841) is 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide is CC(=O)NCC(=O)Nc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide?
The InChIKey is VTGKNWMHFMSQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12(22)18-10-16(23)19-14-11-21(13-6-3-2-4-7-13)20-17(14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide?
2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 10065841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).