N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide

C19H16F3N3O — CID 86990835

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)17-9-5-4-8-16(17)18(26)23-10-15-11-24-25(13-15)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,26)
InChIKeyOOSKWJJCYXSVSC-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.88
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 86990835) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID86990835
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)17-9-5-4-8-16(17)18(26)23-10-15-11-24-25(13-15)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,26)
InChIKeyOOSKWJJCYXSVSC-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861715
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-[(1-benzylpyrazol-4-yl)methyl]-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111889686
N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47057300
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 86990835) is N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OOSKWJJCYXSVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)17-9-5-4-8-16(17)18(26)23-10-15-11-24-25(13-15)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,26).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 86990835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).