1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine

C11H8BrF4N3O — CID 46928369

IUPAC1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCOc1cc(F)cc(Br)c1-n1ncc(N)c1C(F)(F)F
InChIInChI=1S/C11H8BrF4N3O/c1-20-8-3-5(13)2-6(12)9(8)19-10(11(14,15)16)7(17)4-18-19/h2-4H,17H2,1H3
InChIKeyCIBCSRUXEAGAIW-UHFFFAOYSA-N
MW354.10 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine

1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 46928369) has the molecular formula C11H8BrF4N3O and a molecular weight of 354.10 g/mol. Its IUPAC name is 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID46928369
Molecular FormulaC11H8BrF4N3O
Molecular Weight354.10 g/mol
Exact Mass352.98
IUPAC Name1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCOc1cc(F)cc(Br)c1-n1ncc(N)c1C(F)(F)F
InChIInChI=1S/C11H8BrF4N3O/c1-20-8-3-5(13)2-6(12)9(8)19-10(11(14,15)16)7(17)4-18-19/h2-4H,17H2,1H3
InChIKeyCIBCSRUXEAGAIW-UHFFFAOYSA-N
XLogP3.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.10
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 46928370
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
CID 168519363
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 118365625
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
CID 169213571
4-[4-amino-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 66442429

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 46928369) is 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine is COc1cc(F)cc(Br)c1-n1ncc(N)c1C(F)(F)F.
What is the InChIKey of 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is CIBCSRUXEAGAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF4N3O/c1-20-8-3-5(13)2-6(12)9(8)19-10(11(14,15)16)7(17)4-18-19/h2-4H,17H2,1H3.
What are the key properties of 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 354.10 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 46928369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).