N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

C18H11F6N3O — CID 90271499

IUPACN-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)cc2F)cc1-c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3O/c1-27-15(16-10(18(22,23)24)3-2-4-11(16)20)8-14(26-27)17(28)25-13-6-5-9(19)7-12(13)21/h2-8H,1H3,(H,25,28)
InChIKeyGVUWPPBJLAFZAF-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.78
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 90271499) has the molecular formula C18H11F6N3O and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID90271499
Molecular FormulaC18H11F6N3O
Molecular Weight399.29 g/mol
Exact Mass399.08
IUPAC NameN-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)cc2F)cc1-c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3O/c1-27-15(16-10(18(22,23)24)3-2-4-11(16)20)8-14(26-27)17(28)25-13-6-5-9(19)7-12(13)21/h2-8H,1H3,(H,25,28)
InChIKeyGVUWPPBJLAFZAF-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271500
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 122171424
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (CID 90271499) is N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(F)cc2F)cc1-c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GVUWPPBJLAFZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O/c1-27-15(16-10(18(22,23)24)3-2-4-11(16)20)8-14(26-27)17(28)25-13-6-5-9(19)7-12(13)21/h2-8H,1H3,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90271499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).