N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

C23H17FN4O — CID 6179485

IUPACN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O/c24-20-13-11-18(12-14-20)23(29)26-25-15-19-16-28(21-9-5-2-6-10-21)27-22(19)17-7-3-1-4-8-17/h1-16H,(H,26,29)/b25-15-
InChIKeyUYLILNVDFFHIFD-MYYYXRDXSA-N
MW384.41 g/mol
LogP4.44
Rot. Bonds5

About N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide (PubChem CID 6179485) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
PubChem CID6179485
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O/c24-20-13-11-18(12-14-20)23(29)26-25-15-19-16-28(21-9-5-2-6-10-21)27-22(19)17-7-3-1-4-8-17/h1-16H,(H,26,29)/b25-15-
InChIKeyUYLILNVDFFHIFD-MYYYXRDXSA-N
XLogP4.44
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
2-bromo-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6897229
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 2319723
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6024301
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide (CID 6179485) is N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The InChIKey is UYLILNVDFFHIFD-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-20-13-11-18(12-14-20)23(29)26-25-15-19-16-28(21-9-5-2-6-10-21)27-22(19)17-7-3-1-4-8-17/h1-16H,(H,26,29)/b25-15-.
What are the key properties of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide has a molecular weight of 384.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6179485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).