N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide

C24H19FN4O2 — CID 9072904

IUPACN-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19FN4O2/c1-16-2-4-17(5-3-16)23-19(15-29(28-23)21-10-8-20(25)9-11-21)14-26-27-24(31)18-6-12-22(30)13-7-18/h2-15,30H,1H3,(H,27,31)/b26-14-
InChIKeyCMPGYYHKHPFNFY-WGARJPEWSA-N
MW414.44 g/mol
LogP4.46
Rot. Bonds5

About N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide

N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 9072904) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID9072904
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19FN4O2/c1-16-2-4-17(5-3-16)23-19(15-29(28-23)21-10-8-20(25)9-11-21)14-26-27-24(31)18-6-12-22(30)13-7-18/h2-15,30H,1H3,(H,27,31)/b26-14-
InChIKeyCMPGYYHKHPFNFY-WGARJPEWSA-N
XLogP4.46
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
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 N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 9072904) is N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=N\NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is CMPGYYHKHPFNFY-WGARJPEWSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-16-2-4-17(5-3-16)23-19(15-29(28-23)21-10-8-20(25)9-11-21)14-26-27-24(31)18-6-12-22(30)13-7-18/h2-15,30H,1H3,(H,27,31)/b26-14-.
What are the key properties of N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 414.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 9072904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).