1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

C13H15BrFN3O — CID 105054182

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(OC)c1)c1c(Br)cnn1C
InChIInChI=1S/C13H15BrFN3O/c1-16-12(13-9(14)7-17-18(13)2)8-4-5-10(15)11(6-8)19-3/h4-7,12,16H,1-3H3
InChIKeyHIQKXLJXPBRKET-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105054182) has the molecular formula C13H15BrFN3O and a molecular weight of 328.19 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID105054182
Molecular FormulaC13H15BrFN3O
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(OC)c1)c1c(Br)cnn1C
InChIInChI=1S/C13H15BrFN3O/c1-16-12(13-9(14)7-17-18(13)2)8-4-5-10(15)11(6-8)19-3/h4-7,12,16H,1-3H3
InChIKeyHIQKXLJXPBRKET-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 105053912
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105039950
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
N-[(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105053991

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 105054182) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(OC)c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HIQKXLJXPBRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O/c1-16-12(13-9(14)7-17-18(13)2)8-4-5-10(15)11(6-8)19-3/h4-7,12,16H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 328.19 g/mol, XLogP of 2.64, 4 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)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105054182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).