5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide

C12H7F6N3O — CID 19508083

IUPAC5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H7F6N3O/c13-11(14,15)6-3-1-2-4-7(6)19-10(22)8-5-9(21-20-8)12(16,17)18/h1-5H,(H,19,22)(H,20,21)
InChIKeyQQCUCXSEONPZDO-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.70
Rot. Bonds2

About 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide

5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 19508083) has the molecular formula C12H7F6N3O and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID19508083
Molecular FormulaC12H7F6N3O
Molecular Weight323.20 g/mol
Exact Mass323.05
IUPAC Name5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H7F6N3O/c13-11(14,15)6-3-1-2-4-7(6)19-10(22)8-5-9(21-20-8)12(16,17)18/h1-5H,(H,19,22)(H,20,21)
InChIKeyQQCUCXSEONPZDO-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

5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 16659761
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508169
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136666349
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide (CID 19508083) is 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QQCUCXSEONPZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O/c13-11(14,15)6-3-1-2-4-7(6)19-10(22)8-5-9(21-20-8)12(16,17)18/h1-5H,(H,19,22)(H,20,21).
What are the key properties of 5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-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-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).