5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole

C11H8BrF3N2O — CID 174506640

IUPAC5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole
SMILESCOc1ccc(C(F)n2nccc2Br)c(F)c1F
InChIInChI=1S/C11H8BrF3N2O/c1-18-7-3-2-6(9(13)10(7)14)11(15)17-8(12)4-5-16-17/h2-5,11H,1H3
InChIKeyYEHNXVQNSBKOBR-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole

5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole (PubChem CID 174506640) has the molecular formula C11H8BrF3N2O and a molecular weight of 321.10 g/mol. Its IUPAC name is 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole
PubChem CID174506640
Molecular FormulaC11H8BrF3N2O
Molecular Weight321.10 g/mol
Exact Mass319.98
IUPAC Name5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole
SMILESCOc1ccc(C(F)n2nccc2Br)c(F)c1F
InChIInChI=1S/C11H8BrF3N2O/c1-18-7-3-2-6(9(13)10(7)14)11(15)17-8(12)4-5-16-17/h2-5,11H,1H3
InChIKeyYEHNXVQNSBKOBR-UHFFFAOYSA-N
XLogP3.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-bromoethyl)-2,3-difluoro-4-methoxybenzene
CID 174526673
2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol
CID 175253078
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105048161
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 126626464
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
methyl 4-(2,3-difluoro-4-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole?
The IUPAC name of 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole (CID 174506640) is 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole.
What is the SMILES notation for 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole?
The canonical SMILES for 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole is COc1ccc(C(F)n2nccc2Br)c(F)c1F.
What is the InChIKey of 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole?
The InChIKey is YEHNXVQNSBKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O/c1-18-7-3-2-6(9(13)10(7)14)11(15)17-8(12)4-5-16-17/h2-5,11H,1H3.
What are the key properties of 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole?
5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole has a molecular weight of 321.10 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]pyrazole is sourced from PubChem (CID 174506640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).