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

C11H6Cl2F4N2O — CID 11121024

IUPAC2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H6Cl2F4N2O/c1-19-10(11(15,16)17)8(13)9(18-19)4-2-7(20)5(12)3-6(4)14/h2-3,20H,1H3
InChIKeyAKGKYVNQWPQLNM-UHFFFAOYSA-N
MW329.08 g/mol
LogP4.26
Rot. Bonds1

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

2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol (PubChem CID 11121024) has the molecular formula C11H6Cl2F4N2O and a molecular weight of 329.08 g/mol. Its IUPAC name is 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol
PubChem CID11121024
Molecular FormulaC11H6Cl2F4N2O
Molecular Weight329.08 g/mol
Exact Mass327.98
IUPAC Name2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H6Cl2F4N2O/c1-19-10(11(15,16)17)8(13)9(18-19)4-2-7(20)5(12)3-6(4)14/h2-3,20H,1H3
InChIKeyAKGKYVNQWPQLNM-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 54.26
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-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
4-Chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
CID 10935025
4-Chloro-5-(4-chloro-6-fluoro-3-hydroxy-2-prop-2-enylphenyl)-2-methylpyrazole-3-carbonitrile
CID 11110185
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
4-Bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15278578
3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278580
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxybenzonitrile
CID 15376505
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15390078
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol?
The IUPAC name of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol (CID 11121024) is 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol?
The canonical SMILES for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol is Cn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol?
The InChIKey is AKGKYVNQWPQLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F4N2O/c1-19-10(11(15,16)17)8(13)9(18-19)4-2-7(20)5(12)3-6(4)14/h2-3,20H,1H3.
What are the key properties of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol?
2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol has a molecular weight of 329.08 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 11121024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).