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

C11H7BrClF3N2O — CID 11013698

IUPAC4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)c(Br)c1OC(F)F
InChIInChI=1S/C11H7BrClF3N2O/c1-18-10(19-11(15)16)8(12)9(17-18)6-3-2-5(13)4-7(6)14/h2-4,11H,1H3
InChIKeyNBJYBUXRWWAADZ-UHFFFAOYSA-N
MW355.54 g/mol
LogP4.24
Rot. Bonds3

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

4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11013698) has the molecular formula C11H7BrClF3N2O and a molecular weight of 355.54 g/mol. Its IUPAC name is 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11013698
Molecular FormulaC11H7BrClF3N2O
Molecular Weight355.54 g/mol
Exact Mass353.94
IUPAC Name4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)c(Br)c1OC(F)F
InChIInChI=1S/C11H7BrClF3N2O/c1-18-10(19-11(15)16)8(12)9(17-18)6-3-2-5(13)4-7(6)14/h2-4,11H,1H3
InChIKeyNBJYBUXRWWAADZ-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 54.24
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
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-chloro-5-aminophenyl)pyrazole
CID 11427347
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
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
3-(4-Chlorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 11013698) is 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2F)c(Br)c1OC(F)F.
What is the InChIKey of 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is NBJYBUXRWWAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2O/c1-18-10(19-11(15)16)8(12)9(17-18)6-3-2-5(13)4-7(6)14/h2-4,11H,1H3.
What are the key properties of 4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 355.54 g/mol, XLogP of 4.24, 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-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11013698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).