N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C18H15F3N4O2 — CID 55947586

IUPACN-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-7-4-8-24(17(15)27)12-16(26)23-14-9-22-25(11-14)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,23,26)
InChIKeyOTTKZNOPEUZQDZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.75
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55947586) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55947586
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-7-4-8-24(17(15)27)12-16(26)23-14-9-22-25(11-14)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,23,26)
InChIKeyOTTKZNOPEUZQDZ-UHFFFAOYSA-N
XLogP2.75
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(4-imidazol-1-ylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37183985
N-(1-benzylpyrazol-4-yl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505743
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55776655
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530901
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55947586) is N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is OTTKZNOPEUZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)15-7-4-8-24(17(15)27)12-16(26)23-14-9-22-25(11-14)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,23,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 376.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).