1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C18H13F4N3O3 — CID 19269246

IUPAC1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F4N3O3/c19-12-1-5-14(6-2-12)27-11-25-10-9-16(24-25)17(26)23-13-3-7-15(8-4-13)28-18(20,21)22/h1-10H,11H2,(H,23,26)
InChIKeyPPBAPOGLPVDXTP-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.21
Rot. Bonds6

About 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 19269246) has the molecular formula C18H13F4N3O3 and a molecular weight of 395.31 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID19269246
Molecular FormulaC18H13F4N3O3
Molecular Weight395.31 g/mol
Exact Mass395.09
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F4N3O3/c19-12-1-5-14(6-2-12)27-11-25-10-9-16(24-25)17(26)23-13-3-7-15(8-4-13)28-18(20,21)22/h1-10H,11H2,(H,23,26)
InChIKeyPPBAPOGLPVDXTP-UHFFFAOYSA-N
XLogP4.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19279881
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19275265
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
1-[(4-chloro-2-methylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19277678
1-[(4-fluorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19269326
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19269295
1-[(4-fluorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
CID 95744924
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 19269246) is 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is PPBAPOGLPVDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3/c19-12-1-5-14(6-2-12)27-11-25-10-9-16(24-25)17(26)23-13-3-7-15(8-4-13)28-18(20,21)22/h1-10H,11H2,(H,23,26).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).