4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

C22H16FN5O — CID 6899064

IUPAC4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c23-19-10-8-16(9-11-19)22(29)26-25-14-18-15-28(20-6-2-1-3-7-20)27-21(18)17-5-4-12-24-13-17/h1-15H,(H,26,29)/b25-14+
InChIKeyCBEZCYGVFBYVJS-AFUMVMLFSA-N
MW385.40 g/mol
LogP3.84
Rot. Bonds5

About 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 6899064) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID6899064
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c23-19-10-8-16(9-11-19)22(29)26-25-14-18-15-28(20-6-2-1-3-7-20)27-21(18)17-5-4-12-24-13-17/h1-15H,(H,26,29)/b25-14+
InChIKeyCBEZCYGVFBYVJS-AFUMVMLFSA-N
XLogP3.84
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (CID 6899064) is 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is CBEZCYGVFBYVJS-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-19-10-8-16(9-11-19)22(29)26-25-14-18-15-28(20-6-2-1-3-7-20)27-21(18)17-5-4-12-24-13-17/h1-15H,(H,26,29)/b25-14+.
What are the key properties of 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 385.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 6899064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).