2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide

C24H19FN4O — CID 9214901

IUPAC2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccccc1-n1cc(/C=N\NC(=O)c2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C24H19FN4O/c1-17-9-5-8-14-22(17)29-16-19(23(28-29)18-10-3-2-4-11-18)15-26-27-24(30)20-12-6-7-13-21(20)25/h2-16H,1H3,(H,27,30)/b26-15-
InChIKeyOXFRMNUTVUINGD-YSMPRRRNSA-N
MW398.44 g/mol
LogP4.75
Rot. Bonds5

About 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide

2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide (PubChem CID 9214901) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
PubChem CID9214901
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccccc1-n1cc(/C=N\NC(=O)c2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C24H19FN4O/c1-17-9-5-8-14-22(17)29-16-19(23(28-29)18-10-3-2-4-11-18)15-26-27-24(30)20-12-6-7-13-21(20)25/h2-16H,1H3,(H,27,30)/b26-15-
InChIKeyOXFRMNUTVUINGD-YSMPRRRNSA-N
XLogP4.75
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.75
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'}

Analyze 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9027170
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
4-methoxy-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9231607
N-cyclopropyl-N'-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352748
2-fluoro-N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9235806
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
2-bromo-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6897229
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-[1-(4-carboxyphenyl)-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid
CID 164517437
2-bromo-N-[(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2354736
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide (CID 9214901) is 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide is Cc1ccccc1-n1cc(/C=N\NC(=O)c2ccccc2F)c(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is OXFRMNUTVUINGD-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-17-9-5-8-14-22(17)29-16-19(23(28-29)18-10-3-2-4-11-18)15-26-27-24(30)20-12-6-7-13-21(20)25/h2-16H,1H3,(H,27,30)/b26-15-.
What are the key properties of 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 398.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 9214901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).