4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole

C12H9Cl3F2N2O — CID 11824049

IUPAC4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(Cc2cccc(Cl)c2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C12H9Cl3F2N2O/c1-19-11(20-12(16)17)10(15)8(18-19)5-6-3-2-4-7(13)9(6)14/h2-4,12H,5H2,1H3
InChIKeyBGSHEFIPRMCFDE-UHFFFAOYSA-N
MW341.57 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11824049) has the molecular formula C12H9Cl3F2N2O and a molecular weight of 341.57 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11824049
Molecular FormulaC12H9Cl3F2N2O
Molecular Weight341.57 g/mol
Exact Mass339.97
IUPAC Name4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(Cc2cccc(Cl)c2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C12H9Cl3F2N2O/c1-19-11(20-12(16)17)10(15)8(18-19)5-6-3-2-4-7(13)9(6)14/h2-4,12H,5H2,1H3
InChIKeyBGSHEFIPRMCFDE-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole (CID 11824049) is 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(Cc2cccc(Cl)c2Cl)c(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is BGSHEFIPRMCFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3F2N2O/c1-19-11(20-12(16)17)10(15)8(18-19)5-6-3-2-4-7(13)9(6)14/h2-4,12H,5H2,1H3.
What are the key properties of 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 341.57 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11824049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).