1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine

C15H15BrN4 — CID 114651360

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc2ncccc2c1)c1c(Br)cnn1C
InChIInChI=1S/C15H15BrN4/c1-17-14(15-12(16)9-19-20(15)2)11-5-6-13-10(8-11)4-3-7-18-13/h3-9,14,17H,1-2H3
InChIKeyOKBJVBYXDKCYRZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.04
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 114651360) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID114651360
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc2ncccc2c1)c1c(Br)cnn1C
InChIInChI=1S/C15H15BrN4/c1-17-14(15-12(16)9-19-20(15)2)11-5-6-13-10(8-11)4-3-7-18-13/h3-9,14,17H,1-2H3
InChIKeyOKBJVBYXDKCYRZ-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
CID 114659165
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021001
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
CID 114658304
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine (CID 114651360) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine is CNC(c1ccc2ncccc2c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is OKBJVBYXDKCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-17-14(15-12(16)9-19-20(15)2)11-5-6-13-10(8-11)4-3-7-18-13/h3-9,14,17H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 331.22 g/mol, XLogP of 3.04, 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)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 114651360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).