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

C12H9BrClF3N2O — CID 15672348

IUPAC4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCc1cc(-c2nn(C)c(OC(F)F)c2Br)c(F)cc1Cl
InChIInChI=1S/C12H9BrClF3N2O/c1-5-3-6(8(15)4-7(5)14)10-9(13)11(19(2)18-10)20-12(16)17/h3-4,12H,1-2H3
InChIKeyIYJJSMCWHUNQFX-UHFFFAOYSA-N
MW369.57 g/mol
LogP4.55
Rot. Bonds3

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

4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672348) has the molecular formula C12H9BrClF3N2O and a molecular weight of 369.57 g/mol. Its IUPAC name is 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672348
Molecular FormulaC12H9BrClF3N2O
Molecular Weight369.57 g/mol
Exact Mass367.95
IUPAC Name4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCc1cc(-c2nn(C)c(OC(F)F)c2Br)c(F)cc1Cl
InChIInChI=1S/C12H9BrClF3N2O/c1-5-3-6(8(15)4-7(5)14)10-9(13)11(19(2)18-10)20-12(16)17/h3-4,12H,1-2H3
InChIKeyIYJJSMCWHUNQFX-UHFFFAOYSA-N
XLogP4.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-Bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloro-4-fluoroaniline
CID 10948671
4-Bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11013698
3-(5-Azido-4-chloro-2-fluorophenyl)-4-bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 11069323
4,6-Dichloro-3-(4-bromo-5-difluoromethoxy-1-methyl-1h-pyrazol-3-yl)aniline
CID 11257693
1-Methyl-5-difluoromethoxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11357876
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
4-Bromo-3-(4-chloro-2-fluoro-5-nitrophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11729081
4-chloro-3-[4-chloro-5-[(E)-2-diethoxyphosphorylethenyl]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11733432
3-(4-Chloro-2-fluoro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15030566
3-[5-(Bromomethyl)-4-chloro-2-fluorophenyl]-4-chloro-5-(difluoromethoxy)-1-methylpyrazole
CID 15030569
4-chloro-3-(4-chloro-5-dibromomethyl-2-fluorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15030570
3-(5-dibromomethyl-2,4-dichlorophenyl)-4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15030571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15672348) is 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cc1cc(-c2nn(C)c(OC(F)F)c2Br)c(F)cc1Cl.
What is the InChIKey of 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is IYJJSMCWHUNQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF3N2O/c1-5-3-6(8(15)4-7(5)14)10-9(13)11(19(2)18-10)20-12(16)17/h3-4,12H,1-2H3.
What are the key properties of 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 369.57 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).