1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine

C14H16Br2FN3O — CID 114887043

IUPAC1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1c(F)cccc1Br)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H16Br2FN3O/c1-18-13(12-9(15)4-3-5-11(12)17)14-10(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3
InChIKeyUKXNYSMFUAJGOX-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine

1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine (PubChem CID 114887043) has the molecular formula C14H16Br2FN3O and a molecular weight of 421.11 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
PubChem CID114887043
Molecular FormulaC14H16Br2FN3O
Molecular Weight421.11 g/mol
Exact Mass418.96
IUPAC Name1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNC(c1c(F)cccc1Br)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H16Br2FN3O/c1-18-13(12-9(15)4-3-5-11(12)17)14-10(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3
InChIKeyUKXNYSMFUAJGOX-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105280354
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
CID 114647389
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114648781
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105043001
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 105184314

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine (CID 114887043) is 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine is CNC(c1c(F)cccc1Br)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is UKXNYSMFUAJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2FN3O/c1-18-13(12-9(15)4-3-5-11(12)17)14-10(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine?
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 421.11 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114887043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).