4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole

C13H12Cl2F2N2O2 — CID 15220195

IUPAC4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCOCc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2F2N2O2/c1-19-12(21-13(16)17)10(15)11(18-19)7-3-4-9(14)8(5-7)6-20-2/h3-5,13H,6H2,1-2H3
InChIKeyLFGCXPPCEQSNCE-UHFFFAOYSA-N
MW337.15 g/mol
LogP4.14
Rot. Bonds5

About 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15220195) has the molecular formula C13H12Cl2F2N2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15220195
Molecular FormulaC13H12Cl2F2N2O2
Molecular Weight337.15 g/mol
Exact Mass336.02
IUPAC Name4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCOCc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2F2N2O2/c1-19-12(21-13(16)17)10(15)11(18-19)7-3-4-9(14)8(5-7)6-20-2/h3-5,13H,6H2,1-2H3
InChIKeyLFGCXPPCEQSNCE-UHFFFAOYSA-N
XLogP4.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole (CID 15220195) is 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole is COCc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is LFGCXPPCEQSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F2N2O2/c1-19-12(21-13(16)17)10(15)11(18-19)7-3-4-9(14)8(5-7)6-20-2/h3-5,13H,6H2,1-2H3.
What are the key properties of 4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-[4-chloro-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 337.15 g/mol, XLogP of 4.14, 5 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-3-(methoxymethyl)phenyl]-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15220195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).