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

C11H12Br2N4 — CID 114658304

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1c(Br)cnn1C
InChIInChI=1S/C11H12Br2N4/c1-14-10(7-3-8(12)5-15-4-7)11-9(13)6-16-17(11)2/h3-6,10,14H,1-2H3
InChIKeyTWERYYSLGFIRQE-UHFFFAOYSA-N
MW360.05 g/mol
LogP2.65
Rot. Bonds3

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

1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine (PubChem CID 114658304) has the molecular formula C11H12Br2N4 and a molecular weight of 360.05 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
PubChem CID114658304
Molecular FormulaC11H12Br2N4
Molecular Weight360.05 g/mol
Exact Mass357.94
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1c(Br)cnn1C
InChIInChI=1S/C11H12Br2N4/c1-14-10(7-3-8(12)5-15-4-7)11-9(13)6-16-17(11)2/h3-6,10,14H,1-2H3
InChIKeyTWERYYSLGFIRQE-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
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-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114659289
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine (CID 114658304) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(Br)c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine?
The InChIKey is TWERYYSLGFIRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4/c1-14-10(7-3-8(12)5-15-4-7)11-9(13)6-16-17(11)2/h3-6,10,14H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine has a molecular weight of 360.05 g/mol, XLogP of 2.65, 3 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-(5-bromo-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114658304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).