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

C18H15F2N3O2 — CID 167845210

IUPACN-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
SMILESCCN1N=C(c2ccccc2)C(C(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H15F2N3O2/c1-2-23-18(25)15(16(22-23)11-6-4-3-5-7-11)17(24)21-14-9-8-12(19)10-13(14)20/h3-10,15H,2H2,1H3,(H,21,24)
InChIKeyGNWILICVOQFZJD-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.79
Rot. Bonds4

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

N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide (PubChem CID 167845210) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
PubChem CID167845210
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
SMILESCCN1N=C(c2ccccc2)C(C(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H15F2N3O2/c1-2-23-18(25)15(16(22-23)11-6-4-3-5-7-11)17(24)21-14-9-8-12(19)10-13(14)20/h3-10,15H,2H2,1H3,(H,21,24)
InChIKeyGNWILICVOQFZJD-UHFFFAOYSA-N
XLogP2.79
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.79
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-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 51107848
N-(2,4-difluorophenyl)-2-oxo-3H-1-benzothiophene-3-carboxamide
CID 13037182
1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
CID 119036413
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
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850344
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide (CID 167845210) is N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide is CCN1N=C(c2ccccc2)C(C(=O)Nc2ccc(F)cc2F)C1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide?
The InChIKey is GNWILICVOQFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-2-23-18(25)15(16(22-23)11-6-4-3-5-7-11)17(24)21-14-9-8-12(19)10-13(14)20/h3-10,15H,2H2,1H3,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide is sourced from PubChem (CID 167845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).