2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide

C11H7F4N3O — CID 79885826

IUPAC2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H7F4N3O/c12-9-6(2-1-3-7(9)11(13,14)15)10(19)17-8-4-5-16-18-8/h1-5H,(H2,16,17,18,19)
InChIKeyDJJBCJDUADUQNE-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.82
Rot. Bonds2

About 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79885826) has the molecular formula C11H7F4N3O and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID79885826
Molecular FormulaC11H7F4N3O
Molecular Weight273.19 g/mol
Exact Mass273.05
IUPAC Name2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H7F4N3O/c12-9-6(2-1-3-7(9)11(13,14)15)10(19)17-8-4-5-16-18-8/h1-5H,(H2,16,17,18,19)
InChIKeyDJJBCJDUADUQNE-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
2-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 61393108
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
2-fluoro-6-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 171062052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide (CID 79885826) is 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccn[nH]1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is DJJBCJDUADUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O/c12-9-6(2-1-3-7(9)11(13,14)15)10(19)17-8-4-5-16-18-8/h1-5H,(H2,16,17,18,19).
What are the key properties of 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 273.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).