2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide

C18H13F4N3O — CID 39189076

IUPAC2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C18H13F4N3O/c19-13-4-1-3-12(9-13)10-17(26)24-16-6-5-14(25-8-2-7-23-25)11-15(16)18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyRACPIJIYZGDIFD-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.21
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide

2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 39189076) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID39189076
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C18H13F4N3O/c19-13-4-1-3-12(9-13)10-17(26)24-16-6-5-14(25-8-2-7-23-25)11-15(16)18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyRACPIJIYZGDIFD-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39188751
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
2-methyl-N-[3-oxo-3-[4-pyrazol-1-yl-2-(trifluoromethyl)anilino]propyl]benzamide
CID 55610762
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55610863
1-benzyl-1-[2-(dimethylamino)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 47033764
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 55610959
(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 39189099
2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 154563710
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 51115361
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53493640
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
1-(2-fluorophenyl)sulfonyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39189042

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide (CID 39189076) is 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F.
What is the InChIKey of 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RACPIJIYZGDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-13-4-1-3-12(9-13)10-17(26)24-16-6-5-14(25-8-2-7-23-25)11-15(16)18(20,21)22/h1-9,11H,10H2,(H,24,26).
What are the key properties of 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 39189076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).