1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

C23H20F5N3O2 — CID 66725296

IUPAC1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(C(F)(F)F)ccc2OCC2CCC2)n1
InChIInChI=1S/C23H20F5N3O2/c24-17-5-2-6-18(25)21(17)29-22(32)19-9-10-31(30-19)12-15-11-16(23(26,27)28)7-8-20(15)33-13-14-3-1-4-14/h2,5-11,14H,1,3-4,12-13H2,(H,29,32)
InChIKeyKCBVSXWJNHFYDZ-UHFFFAOYSA-N
MW465.42 g/mol
LogP5.66
Rot. Bonds7

About 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 66725296) has the molecular formula C23H20F5N3O2 and a molecular weight of 465.42 g/mol. Its IUPAC name is 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
PubChem CID66725296
Molecular FormulaC23H20F5N3O2
Molecular Weight465.42 g/mol
Exact Mass465.15
IUPAC Name1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(C(F)(F)F)ccc2OCC2CCC2)n1
InChIInChI=1S/C23H20F5N3O2/c24-17-5-2-6-18(25)21(17)29-22(32)19-9-10-31(30-19)12-15-11-16(23(26,27)28)7-8-20(15)33-13-14-3-1-4-14/h2,5-11,14H,1,3-4,12-13H2,(H,29,32)
InChIKeyKCBVSXWJNHFYDZ-UHFFFAOYSA-N
XLogP5.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725563
4-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methylimino]-N-(2,6-difluorophenyl)-2-iminobutanamide
CID 90870002
1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725523
4-[1-[[2-(cyclopentylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-3-yl]butan-2-one
CID 163464265
3-[1-[[2-(cyclopentylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-3-yl]propanoic acid
CID 56595941
N-[1-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
CID 59547985
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265556
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19286588
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19268820
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270311

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (CID 66725296) is 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is O=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(C(F)(F)F)ccc2OCC2CCC2)n1.
What is the InChIKey of 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is KCBVSXWJNHFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N3O2/c24-17-5-2-6-18(25)21(17)29-22(32)19-9-10-31(30-19)12-15-11-16(23(26,27)28)7-8-20(15)33-13-14-3-1-4-14/h2,5-11,14H,1,3-4,12-13H2,(H,29,32).
What are the key properties of 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 465.42 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66725296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).