N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide

C24H19FN4O3 — CID 139179075

IUPACN-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C(=N\NC(=O)c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3/c1-15-21(24(32)29(28-15)18-7-3-2-4-8-18)22(16-11-13-17(25)14-12-16)26-27-23(31)19-9-5-6-10-20(19)30/h2-14,28,30H,1H3,(H,27,31)/b26-22-
InChIKeyUJJYPMCSNWAOKI-ROMGYVFFSA-N
MW430.44 g/mol
LogP3.50
Rot. Bonds5

About N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide

N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide (PubChem CID 139179075) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide
PubChem CID139179075
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C(=N\NC(=O)c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3/c1-15-21(24(32)29(28-15)18-7-3-2-4-8-18)22(16-11-13-17(25)14-12-16)26-27-23(31)19-9-5-6-10-20(19)30/h2-14,28,30H,1H3,(H,27,31)/b26-22-
InChIKeyUJJYPMCSNWAOKI-ROMGYVFFSA-N
XLogP3.50
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
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)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide (CID 139179075) is N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide is Cc1[nH]n(-c2ccccc2)c(=O)c1/C(=N\NC(=O)c1ccccc1O)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide?
The InChIKey is UJJYPMCSNWAOKI-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-15-21(24(32)29(28-15)18-7-3-2-4-8-18)22(16-11-13-17(25)14-12-16)26-27-23(31)19-9-5-6-10-20(19)30/h2-14,28,30H,1H3,(H,27,31)/b26-22-.
What are the key properties of N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide?
N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide has a molecular weight of 430.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-fluorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 139179075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).