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

C20H16N4OS2 — CID 9211955

IUPACN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccs1
InChIInChI=1S/C20H16N4OS2/c25-20(18-9-5-11-27-18)22-21-12-16-14-24(13-15-6-2-1-3-7-15)23-19(16)17-8-4-10-26-17/h1-12,14H,13H2,(H,22,25)/b21-12-
InChIKeyCQEDURLABYEYPX-MTJSOVHGSA-N
MW392.51 g/mol
LogP4.49
Rot. Bonds6

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

N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 9211955) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID9211955
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC NameN-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccs1
InChIInChI=1S/C20H16N4OS2/c25-20(18-9-5-11-27-18)22-21-12-16-14-24(13-15-6-2-1-3-7-15)23-19(16)17-8-4-10-26-17/h1-12,14H,13H2,(H,22,25)/b21-12-
InChIKeyCQEDURLABYEYPX-MTJSOVHGSA-N
XLogP4.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]acetamide
CID 9074309
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]oxamide
CID 9120952
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883635
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
2-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
CID 9072543
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
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
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide (CID 9211955) is N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccs1.
What is the InChIKey of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is CQEDURLABYEYPX-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N4OS2/c25-20(18-9-5-11-27-18)22-21-12-16-14-24(13-15-6-2-1-3-7-15)23-19(16)17-8-4-10-26-17/h1-12,14H,13H2,(H,22,25)/b21-12-.
What are the key properties of N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 9211955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).