1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H11F7N4O2 — CID 122133694

IUPAC1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C15H11F7N4O2/c16-9-3-1-2-4-10(9)26-12(15(20,21)22)8(5-25-26)13(28)23-6-11(27)24-7-14(17,18)19/h1-5H,6-7H2,(H,23,28)(H,24,27)
InChIKeyVLOLYKDGEIFVSE-UHFFFAOYSA-N
MW412.27 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 122133694) has the molecular formula C15H11F7N4O2 and a molecular weight of 412.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID122133694
Molecular FormulaC15H11F7N4O2
Molecular Weight412.27 g/mol
Exact Mass412.08
IUPAC Name1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C15H11F7N4O2/c16-9-3-1-2-4-10(9)26-12(15(20,21)22)8(5-25-26)13(28)23-6-11(27)24-7-14(17,18)19/h1-5H,6-7H2,(H,23,28)(H,24,27)
InChIKeyVLOLYKDGEIFVSE-UHFFFAOYSA-N
XLogP2.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813848
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827081
1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821430
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813973
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 122133694) is 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)NCC(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VLOLYKDGEIFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F7N4O2/c16-9-3-1-2-4-10(9)26-12(15(20,21)22)8(5-25-26)13(28)23-6-11(27)24-7-14(17,18)19/h1-5H,6-7H2,(H,23,28)(H,24,27).
What are the key properties of 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 412.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 122133694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).