1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine

C14H18BrN3O — CID 114648364

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1c(Br)cnn1C
InChIInChI=1S/C14H18BrN3O/c1-16-13(14-12(15)9-17-18(14)2)8-10-5-4-6-11(7-10)19-3/h4-7,9,13,16H,8H2,1-3H3
InChIKeyMHOMJPLTUWMPRR-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 114648364) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID114648364
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1c(Br)cnn1C
InChIInChI=1S/C14H18BrN3O/c1-16-13(14-12(15)9-17-18(14)2)8-10-5-4-6-11(7-10)19-3/h4-7,9,13,16H,8H2,1-3H3
InChIKeyMHOMJPLTUWMPRR-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 114648364) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is MHOMJPLTUWMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-16-13(14-12(15)9-17-18(14)2)8-10-5-4-6-11(7-10)19-3/h4-7,9,13,16H,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 324.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114648364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).