N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

C17H16N4OS — CID 9074309

IUPACN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N4OS/c1-13(22)19-18-10-15-12-21(11-14-6-3-2-4-7-14)20-17(15)16-8-5-9-23-16/h2-10,12H,11H2,1H3,(H,19,22)/b18-10-
InChIKeyUSFGGVOWMLMSDN-ZDLGFXPLSA-N
MW324.41 g/mol
LogP3.13
Rot. Bonds5

About N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 9074309) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID9074309
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N4OS/c1-13(22)19-18-10-15-12-21(11-14-6-3-2-4-7-14)20-17(15)16-8-5-9-23-16/h2-10,12H,11H2,1H3,(H,19,22)/b18-10-
InChIKeyUSFGGVOWMLMSDN-ZDLGFXPLSA-N
XLogP3.13
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 9211955
N'-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide
CID 9120952
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-4-methylbenzamide
CID 9175314
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883635
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
1-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176218
(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058693
2-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
CID 9072543
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24627856

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide (CID 9074309) is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is CC(=O)N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is USFGGVOWMLMSDN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-13(22)19-18-10-15-12-21(11-14-6-3-2-4-7-14)20-17(15)16-8-5-9-23-16/h2-10,12H,11H2,1H3,(H,19,22)/b18-10-.
What are the key properties of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 9074309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).