N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide

C23H18FN5O — CID 9236811

IUPACN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1F
InChIInChI=1S/C23H18FN5O/c24-21-11-5-4-10-20(21)23(30)27-26-14-19-16-29(15-17-7-2-1-3-8-17)28-22(19)18-9-6-12-25-13-18/h1-14,16H,15H2,(H,27,30)/b26-14-
InChIKeyDYPRHOJGGXORIS-WGARJPEWSA-N
MW399.43 g/mol
LogP3.90
Rot. Bonds6

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

N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide (PubChem CID 9236811) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
PubChem CID9236811
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1F
InChIInChI=1S/C23H18FN5O/c24-21-11-5-4-10-20(21)23(30)27-26-14-19-16-29(15-17-7-2-1-3-8-17)28-22(19)18-9-6-12-25-13-18/h1-14,16H,15H2,(H,27,30)/b26-14-
InChIKeyDYPRHOJGGXORIS-WGARJPEWSA-N
XLogP3.90
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.90
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-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 31304372
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 42998069
N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 42998035
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9147632
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 19578405
2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9214901

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide (CID 9236811) is N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide is O=C(N/N=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1F.
What is the InChIKey of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide?
The InChIKey is DYPRHOJGGXORIS-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-21-11-5-4-10-20(21)23(30)27-26-14-19-16-29(15-17-7-2-1-3-8-17)28-22(19)18-9-6-12-25-13-18/h1-14,16H,15H2,(H,27,30)/b26-14-.
What are the key properties of N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide?
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide has a molecular weight of 399.43 g/mol, XLogP of 3.90, 6 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-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 9236811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).