5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol

C11H6BrClF4N2O — CID 141236175

IUPAC5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H6BrClF4N2O/c1-19-10(11(15,16)17)8(12)9(18-19)4-2-7(20)5(13)3-6(4)14/h2-3,20H,1H3
InChIKeyBINSGHIOBCGMAI-UHFFFAOYSA-N
MW373.53 g/mol
LogP4.37
Rot. Bonds1

About 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol

5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol (PubChem CID 141236175) has the molecular formula C11H6BrClF4N2O and a molecular weight of 373.53 g/mol. Its IUPAC name is 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol.

Molecular Properties

Compound Name5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol
PubChem CID141236175
Molecular FormulaC11H6BrClF4N2O
Molecular Weight373.53 g/mol
Exact Mass371.93
IUPAC Name5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H6BrClF4N2O/c1-19-10(11(15,16)17)8(12)9(18-19)4-2-7(20)5(13)3-6(4)14/h2-3,20H,1H3
InChIKeyBINSGHIOBCGMAI-UHFFFAOYSA-N
XLogP4.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
CID 10935025
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 11121024
4-Bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15278578
2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 15456858
2-Chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)4-fluorophenol
CID 15456859
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-cyano-1-methyl-[1H]-pyrazole
CID 18326234
4-[4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxybenzonitrile
CID 18539807
1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole
CID 18615648
3-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(methylthio)-1-methyl-[1H]-pyrazole
CID 18690740
2-chloro-5-[4-chloro-5-[(difluoromethyl)-thio]-1-methyl-1H-pyrazol-3-yl]-4-fluorophenol
CID 22341003
2-Amino-6-chloro-4-fluoro-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 45103958

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol?
The IUPAC name of 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol (CID 141236175) is 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol.
What is the SMILES notation for 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol?
The canonical SMILES for 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol is Cn1nc(-c2cc(O)c(Cl)cc2F)c(Br)c1C(F)(F)F.
What is the InChIKey of 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol?
The InChIKey is BINSGHIOBCGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF4N2O/c1-19-10(11(15,16)17)8(12)9(18-19)4-2-7(20)5(13)3-6(4)14/h2-3,20H,1H3.
What are the key properties of 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol?
5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol has a molecular weight of 373.53 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorophenol is sourced from PubChem (CID 141236175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).