4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile

C11H6Cl2FN3O — CID 10935025

IUPAC4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C#N
InChIInChI=1S/C11H6Cl2FN3O/c1-17-8(4-15)10(13)11(16-17)5-2-9(18)6(12)3-7(5)14/h2-3,18H,1H3
InChIKeyWWNNGAHXOKEZGG-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile

4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile (PubChem CID 10935025) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
PubChem CID10935025
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C#N
InChIInChI=1S/C11H6Cl2FN3O/c1-17-8(4-15)10(13)11(16-17)5-2-9(18)6(12)3-7(5)14/h2-3,18H,1H3
InChIKeyWWNNGAHXOKEZGG-UHFFFAOYSA-N
XLogP3.11
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-6-fluoro-3-hydroxy-2-prop-2-enylphenyl)-2-methylpyrazole-3-carbonitrile
CID 11110185
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 11121024
4-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxybenzonitrile
CID 15376505
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
4-Chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpyrazole-3-carbonitrile
CID 17877716
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-cyano-1-methyl-[1H]-pyrazole
CID 18326234
3-(4-chloro-2-fluoro-5-propargyloxyphenyl)-4-methyl-5-cyano-1-methyl-[1H]pyrazole
CID 18326243
3-(4-Chloro-2-fluoro-5-methoxyphenyl)-1,4-dimethylpyrazole-5-carbonitrile
CID 18326248
1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole
CID 18615648

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile?
The IUPAC name of 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile (CID 10935025) is 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile?
The canonical SMILES for 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile is Cn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1C#N.
What is the InChIKey of 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile?
The InChIKey is WWNNGAHXOKEZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c1-17-8(4-15)10(13)11(16-17)5-2-9(18)6(12)3-7(5)14/h2-3,18H,1H3.
What are the key properties of 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile?
4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile has a molecular weight of 286.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 10935025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).