N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide

C16H11F2N3O — CID 17426566

IUPACN-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H11F2N3O/c17-14-7-4-12(10-15(14)18)20-16(22)11-2-5-13(6-3-11)21-9-1-8-19-21/h1-10H,(H,20,22)
InChIKeyULNDCGNVEVBNOE-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.40
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide

N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 17426566) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
PubChem CID17426566
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC NameN-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H11F2N3O/c17-14-7-4-12(10-15(14)18)20-16(22)11-2-5-13(6-3-11)21-9-1-8-19-21/h1-10H,(H,20,22)
InChIKeyULNDCGNVEVBNOE-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
CID 36561549
2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78865460
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide (CID 17426566) is N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is ULNDCGNVEVBNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-14-7-4-12(10-15(14)18)20-16(22)11-2-5-13(6-3-11)21-9-1-8-19-21/h1-10H,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide?
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 299.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 17426566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).