2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide

C18H15F2N3O — CID 46107138

IUPAC2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(-n2nc(NC(=O)c3ccc(F)cc3F)cc2C)c1
InChIInChI=1S/C18H15F2N3O/c1-11-4-3-5-14(8-11)23-12(2)9-17(22-23)21-18(24)15-7-6-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,22,24)
InChIKeyNDABZBCOHWMRPS-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.02
Rot. Bonds3

About 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide

2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 46107138) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID46107138
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(-n2nc(NC(=O)c3ccc(F)cc3F)cc2C)c1
InChIInChI=1S/C18H15F2N3O/c1-11-4-3-5-14(8-11)23-12(2)9-17(22-23)21-18(24)15-7-6-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,22,24)
InChIKeyNDABZBCOHWMRPS-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 46107140
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
CID 46087955
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide
CID 46106892
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 42880596
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17052782
2-chloro-4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030527
N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
CID 46107029
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide (CID 46107138) is 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide is Cc1cccc(-n2nc(NC(=O)c3ccc(F)cc3F)cc2C)c1.
What is the InChIKey of 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is NDABZBCOHWMRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-11-4-3-5-14(8-11)23-12(2)9-17(22-23)21-18(24)15-7-6-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,22,24).
What are the key properties of 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 46107138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).