4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

C12H8Cl2F4N2O — CID 18615648

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)5-3-8(21-2)6(13)4-7(5)15/h3-4H,1-2H3
InChIKeyDBALFNGUWGSGFU-UHFFFAOYSA-N
MW343.11 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 18615648) has the molecular formula C12H8Cl2F4N2O and a molecular weight of 343.11 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID18615648
Molecular FormulaC12H8Cl2F4N2O
Molecular Weight343.11 g/mol
Exact Mass341.99
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)5-3-8(21-2)6(13)4-7(5)15/h3-4H,1-2H3
InChIKeyDBALFNGUWGSGFU-UHFFFAOYSA-N
XLogP4.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 18615648) is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is COc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is DBALFNGUWGSGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)5-3-8(21-2)6(13)4-7(5)15/h3-4H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 343.11 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 18615648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).