1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C18H12F5N3O3 — CID 19279881

IUPAC1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H12F5N3O3/c19-11-1-6-16(14(20)9-11)28-10-26-8-7-15(25-26)17(27)24-12-2-4-13(5-3-12)29-18(21,22)23/h1-9H,10H2,(H,24,27)
InChIKeyVZXFRDLADKTUOK-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.35
Rot. Bonds6

About 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 19279881) has the molecular formula C18H12F5N3O3 and a molecular weight of 413.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID19279881
Molecular FormulaC18H12F5N3O3
Molecular Weight413.30 g/mol
Exact Mass413.08
IUPAC Name1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H12F5N3O3/c19-11-1-6-16(14(20)9-11)28-10-26-8-7-15(25-26)17(27)24-12-2-4-13(5-3-12)29-18(21,22)23/h1-9H,10H2,(H,24,27)
InChIKeyVZXFRDLADKTUOK-UHFFFAOYSA-N
XLogP4.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269246
1-[(4-chloro-2-methylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19277678
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19275265
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280073
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 39891451
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279984
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 19279881) is 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is VZXFRDLADKTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O3/c19-11-1-6-16(14(20)9-11)28-10-26-8-7-15(25-26)17(27)24-12-2-4-13(5-3-12)29-18(21,22)23/h1-9H,10H2,(H,24,27).
What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 413.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19279881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).