N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide

C18H14FN3O3 — CID 3617259

IUPACN-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c1-11-15(18(25)22(21-11)14-5-3-2-4-6-14)16(23)17(24)20-13-9-7-12(19)8-10-13/h2-10,15H,1H3,(H,20,24)
InChIKeyHJHDSPBGWYGUTN-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.37
Rot. Bonds4

About N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide

N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide (PubChem CID 3617259) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
PubChem CID3617259
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC NameN-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c1-11-15(18(25)22(21-11)14-5-3-2-4-6-14)16(23)17(24)20-13-9-7-12(19)8-10-13/h2-10,15H,1H3,(H,20,24)
InChIKeyHJHDSPBGWYGUTN-UHFFFAOYSA-N
XLogP2.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide (CID 3617259) is N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide is CC1=NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide?
The InChIKey is HJHDSPBGWYGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11-15(18(25)22(21-11)14-5-3-2-4-6-14)16(23)17(24)20-13-9-7-12(19)8-10-13/h2-10,15H,1H3,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide?
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide has a molecular weight of 339.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 3617259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).