1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine

C12H11Br2F2N3 — CID 105054286

IUPAC1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(Br)cc1F)c1c(Br)cnn1C
InChIInChI=1S/C12H11Br2F2N3/c1-17-11(12-7(14)5-18-19(12)2)10-8(15)3-6(13)4-9(10)16/h3-5,11,17H,1-2H3
InChIKeyXNQQNQLFGXMRRV-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.53
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105054286) has the molecular formula C12H11Br2F2N3 and a molecular weight of 395.05 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105054286
Molecular FormulaC12H11Br2F2N3
Molecular Weight395.05 g/mol
Exact Mass392.93
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1c(F)cc(Br)cc1F)c1c(Br)cnn1C
InChIInChI=1S/C12H11Br2F2N3/c1-17-11(12-7(14)5-18-19(12)2)10-8(15)3-6(13)4-9(10)16/h3-5,11,17H,1-2H3
InChIKeyXNQQNQLFGXMRRV-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105054034
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105041368
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
CID 114658304
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105054286) is 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1c(F)cc(Br)cc1F)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is XNQQNQLFGXMRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2F2N3/c1-17-11(12-7(14)5-18-19(12)2)10-8(15)3-6(13)4-9(10)16/h3-5,11,17H,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 395.05 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105054286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).