N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide

C17H13F2N3O2 — CID 51107848

IUPACN-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F2N3O2/c1-10-15(16(23)20-14-8-7-11(18)9-13(14)19)17(24)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3,(H,20,23)
InChIKeyFJMPTRHBYIJDGI-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.94
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide

N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide (PubChem CID 51107848) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
PubChem CID51107848
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F2N3O2/c1-10-15(16(23)20-14-8-7-11(18)9-13(14)19)17(24)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3,(H,20,23)
InChIKeyFJMPTRHBYIJDGI-UHFFFAOYSA-N
XLogP2.94
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 139443142
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
CID 167845210
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
3-methyl-5-oxo-1-phenyl-N-(3-pyrimidin-5-ylphenyl)-4H-pyrazole-4-carboxamide
CID 139433221
CID 88907622
CID 88907622
2-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124632165
N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide
CID 13037182
5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one
CID 4166075
(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 821635
N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
CID 14460008
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide (CID 51107848) is N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide is CC1=NN(c2ccccc2)C(=O)C1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The InChIKey is FJMPTRHBYIJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-10-15(16(23)20-14-8-7-11(18)9-13(14)19)17(24)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide is sourced from PubChem (CID 51107848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).