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

C13H9F6N3O — CID 2809212

IUPACN-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F6N3O/c14-12(15,16)8-2-1-3-9(6-8)20-11(23)7-22-5-4-10(21-22)13(17,18)19/h1-6H,7H2,(H,20,23)
InChIKeyJYJGPUXMYOMYTD-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.56
Rot. Bonds3

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

N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2809212) has the molecular formula C13H9F6N3O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2809212
Molecular FormulaC13H9F6N3O
Molecular Weight337.22 g/mol
Exact Mass337.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F6N3O/c14-12(15,16)8-2-1-3-9(6-8)20-11(23)7-22-5-4-10(21-22)13(17,18)19/h1-6H,7H2,(H,20,23)
InChIKeyJYJGPUXMYOMYTD-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rgfp966
CID 56650312
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2809212) is N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JYJGPUXMYOMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3O/c14-12(15,16)8-2-1-3-9(6-8)20-11(23)7-22-5-4-10(21-22)13(17,18)19/h1-6H,7H2,(H,20,23).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2809212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).