N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H6F5N3O — CID 35528007

IUPACN-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6F5N3O/c12-5-1-2-7(6(13)3-5)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19)
InChIKeyDVROYUCUVWVERA-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.96
Rot. Bonds2

About N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 35528007) has the molecular formula C11H6F5N3O and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID35528007
Molecular FormulaC11H6F5N3O
Molecular Weight291.18 g/mol
Exact Mass291.04
IUPAC NameN-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6F5N3O/c12-5-1-2-7(6(13)3-5)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19)
InChIKeyDVROYUCUVWVERA-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 175895372
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 35528007) is N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DVROYUCUVWVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5N3O/c12-5-1-2-7(6(13)3-5)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 35528007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).