3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide

C18H15FN4O2 — CID 135458748

IUPAC3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O2/c1-12-16(18(25)23(22-12)15-8-3-2-4-9-15)11-20-21-17(24)13-6-5-7-14(19)10-13/h2-11,22H,1H3,(H,21,24)/b20-11+
InChIKeyZSOBICZDUUBZED-RGVLZGJSSA-N
MW338.34 g/mol
LogP2.38
Rot. Bonds4

About 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide

3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide (PubChem CID 135458748) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
PubChem CID135458748
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O2/c1-12-16(18(25)23(22-12)15-8-3-2-4-9-15)11-20-21-17(24)13-6-5-7-14(19)10-13/h2-11,22H,1H3,(H,21,24)/b20-11+
InChIKeyZSOBICZDUUBZED-RGVLZGJSSA-N
XLogP2.38
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-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

(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 354929
3-(Benzoyl-hydrazono)-2-hydroxyimino-N-phenyl-butyramide
CID 135616984
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}benzohydrazide
CID 6861475
(4Z)-4-{[(3-fluorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 950433
(Z)-3-methyl-4-((phenethylamino)methylene)-1-phenyl-1H-pyrazol-5(4H)-one
CID 2927970
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
3-(dimethylamino)-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 6893100
N'-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethyl]benzohydrazide
CID 135411765
2-fluoro-N'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide
CID 135549756
4-fluoro-N-(3-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 9552367
N-(3-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbonyl}phenyl)-4-methylbenzamide
CID 9565166
3-nitro-N'-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzohydrazide
CID 135442914

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide (CID 135458748) is 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is ZSOBICZDUUBZED-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12-16(18(25)23(22-12)15-8-3-2-4-9-15)11-20-21-17(24)13-6-5-7-14(19)10-13/h2-11,22H,1H3,(H,21,24)/b20-11+.
What are the key properties of 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide?
3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 338.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 135458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).