4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide

C21H15FN4OS — CID 6180975

IUPAC4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4OS/c22-17-10-8-15(9-11-17)21(27)24-23-13-16-14-26(18-5-2-1-3-6-18)25-20(16)19-7-4-12-28-19/h1-14H,(H,24,27)/b23-13-
InChIKeyGDEWTYHPRDGEQA-QRVIBDJDSA-N
MW390.44 g/mol
LogP4.50
Rot. Bonds5

About 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide

4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 6180975) has the molecular formula C21H15FN4OS and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID6180975
Molecular FormulaC21H15FN4OS
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4OS/c22-17-10-8-15(9-11-17)21(27)24-23-13-16-14-26(18-5-2-1-3-6-18)25-20(16)19-7-4-12-28-19/h1-14H,(H,24,27)/b23-13-
InChIKeyGDEWTYHPRDGEQA-QRVIBDJDSA-N
XLogP4.50
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.50
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)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
3-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 7417340

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide (CID 6180975) is 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is GDEWTYHPRDGEQA-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H15FN4OS/c22-17-10-8-15(9-11-17)21(27)24-23-13-16-14-26(18-5-2-1-3-6-18)25-20(16)19-7-4-12-28-19/h1-14H,(H,24,27)/b23-13-.
What are the key properties of 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 6180975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).