1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine

C15H14Br2N4 — CID 114659165

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
SMILESCNC(c1nc2ccccc2cc1Br)c1c(Br)cnn1C
InChIInChI=1S/C15H14Br2N4/c1-18-14(15-11(17)8-19-21(15)2)13-10(16)7-9-5-3-4-6-12(9)20-13/h3-8,14,18H,1-2H3
InChIKeySDHSQVRVZOWTDL-UHFFFAOYSA-N
MW410.11 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine (PubChem CID 114659165) has the molecular formula C15H14Br2N4 and a molecular weight of 410.11 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
PubChem CID114659165
Molecular FormulaC15H14Br2N4
Molecular Weight410.11 g/mol
Exact Mass407.96
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
SMILESCNC(c1nc2ccccc2cc1Br)c1c(Br)cnn1C
InChIInChI=1S/C15H14Br2N4/c1-18-14(15-11(17)8-19-21(15)2)13-10(16)7-9-5-3-4-6-12(9)20-13/h3-8,14,18H,1-2H3
InChIKeySDHSQVRVZOWTDL-UHFFFAOYSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105257271
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
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-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
CID 114658304
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
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-(3-bromoquinolin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine (CID 114659165) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine is CNC(c1nc2ccccc2cc1Br)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine?
The InChIKey is SDHSQVRVZOWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N4/c1-18-14(15-11(17)8-19-21(15)2)13-10(16)7-9-5-3-4-6-12(9)20-13/h3-8,14,18H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine has a molecular weight of 410.11 g/mol, XLogP of 3.80, 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-(3-bromoquinolin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).