1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine

C14H17Br2N3O — CID 114647389

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H17Br2N3O/c1-17-13(10-4-3-5-11(15)8-10)14-12(16)9-18-19(14)6-7-20-2/h3-5,8-9,13,17H,6-7H2,1-2H3
InChIKeyAGHJGMZYAYKJBM-UHFFFAOYSA-N
MW403.12 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine (PubChem CID 114647389) has the molecular formula C14H17Br2N3O and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
PubChem CID114647389
Molecular FormulaC14H17Br2N3O
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H17Br2N3O/c1-17-13(10-4-3-5-11(15)8-10)14-12(16)9-18-19(14)6-7-20-2/h3-5,8-9,13,17H,6-7H2,1-2H3
InChIKeyAGHJGMZYAYKJBM-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
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-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 105184314
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methyl]ethanamine
CID 114647731
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 114887043
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105043001
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
CID 105337275
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184316
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105042933
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine (CID 114647389) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine is CNC(c1cccc(Br)c1)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine?
The InChIKey is AGHJGMZYAYKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O/c1-17-13(10-4-3-5-11(15)8-10)14-12(16)9-18-19(14)6-7-20-2/h3-5,8-9,13,17H,6-7H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine has a molecular weight of 403.12 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 114647389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).