5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H7F6N3O — CID 47801183

IUPAC5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C12H7F6N3O/c13-11(14,15)6-2-1-3-7(4-6)20-10(22)8-5-19-21-9(8)12(16,17)18/h1-5H,(H,19,21)(H,20,22)
InChIKeyRAWCEZQDDGVDNW-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.70
Rot. Bonds2

About 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 47801183) has the molecular formula C12H7F6N3O and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID47801183
Molecular FormulaC12H7F6N3O
Molecular Weight323.20 g/mol
Exact Mass323.05
IUPAC Name5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C12H7F6N3O/c13-11(14,15)6-2-1-3-7(4-6)20-10(22)8-5-19-21-9(8)12(16,17)18/h1-5H,(H,19,21)(H,20,22)
InChIKeyRAWCEZQDDGVDNW-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
CID 5304147
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 47801183) is 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RAWCEZQDDGVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O/c13-11(14,15)6-2-1-3-7(4-6)20-10(22)8-5-19-21-9(8)12(16,17)18/h1-5H,(H,19,21)(H,20,22).
What are the key properties of 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 47801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).