3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide

C17H10F5N3O — CID 39188940

IUPAC3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F5N3O/c18-13-4-2-10(8-14(13)19)16(26)24-15-5-3-11(25-7-1-6-23-25)9-12(15)17(20,21)22/h1-9H,(H,24,26)
InChIKeyGTELNJYOOCAYOK-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.42
Rot. Bonds3

About 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide

3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 39188940) has the molecular formula C17H10F5N3O and a molecular weight of 367.28 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
PubChem CID39188940
Molecular FormulaC17H10F5N3O
Molecular Weight367.28 g/mol
Exact Mass367.07
IUPAC Name3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F5N3O/c18-13-4-2-10(8-14(13)19)16(26)24-15-5-3-11(25-7-1-6-23-25)9-12(15)17(20,21)22/h1-9H,(H,24,26)
InChIKeyGTELNJYOOCAYOK-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-(cyclopropylamino)-3-nitro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 55610765
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39188751
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
2-methyl-N-[3-oxo-3-[4-pyrazol-1-yl-2-(trifluoromethyl)anilino]propyl]benzamide
CID 55610762
1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39189042
(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 39189099
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide (CID 39188940) is 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GTELNJYOOCAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O/c18-13-4-2-10(8-14(13)19)16(26)24-15-5-3-11(25-7-1-6-23-25)9-12(15)17(20,21)22/h1-9H,(H,24,26).
What are the key properties of 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide?
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 367.28 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 39188940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).