4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C12H9Cl2F3N2O2 — CID 22392595

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O2/c1-19-11(21-12(16)17)9(14)10(18-19)5-3-8(20-2)6(13)4-7(5)15/h3-4,12H,1-2H3
InChIKeyZKSGROKQOMSOPL-UHFFFAOYSA-N
MW341.12 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 22392595) has the molecular formula C12H9Cl2F3N2O2 and a molecular weight of 341.12 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID22392595
Molecular FormulaC12H9Cl2F3N2O2
Molecular Weight341.12 g/mol
Exact Mass340.00
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O2/c1-19-11(21-12(16)17)9(14)10(18-19)5-3-8(20-2)6(13)4-7(5)15/h3-4,12H,1-2H3
InChIKeyZKSGROKQOMSOPL-UHFFFAOYSA-N
XLogP4.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.12
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
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)-1H-pyrazole
CID 101126842
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
4-chloro-1-(2,4-dichlorobenzyl)-3,5-bis[3-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587097
4-chloro-1-(4-chlorobenzyl)-3,5-bis[3-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587389
4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-(4-fluorobenzyl)-1H-pyrazole
CID 19588188
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
2-[2-Chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11293728
1-Methyl-5-difluoromethoxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11357876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 22392595) is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is ZKSGROKQOMSOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2O2/c1-19-11(21-12(16)17)9(14)10(18-19)5-3-8(20-2)6(13)4-7(5)15/h3-4,12H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 341.12 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 22392595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).