1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C15H19Br2N3 — CID 107946163

IUPAC1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(Br)cc2Br)n(C)n1
InChIInChI=1S/C15H19Br2N3/c1-4-11-8-12(20(3)19-11)9-15(18-2)13-6-5-10(16)7-14(13)17/h5-8,15,18H,4,9H2,1-3H3
InChIKeyCRNCCQGRYQVLFZ-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.01
Rot. Bonds5

About 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 107946163) has the molecular formula C15H19Br2N3 and a molecular weight of 401.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID107946163
Molecular FormulaC15H19Br2N3
Molecular Weight401.15 g/mol
Exact Mass398.99
IUPAC Name1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(Br)cc2Br)n(C)n1
InChIInChI=1S/C15H19Br2N3/c1-4-11-8-12(20(3)19-11)9-15(18-2)13-6-5-10(16)7-14(13)17/h5-8,15,18H,4,9H2,1-3H3
InChIKeyCRNCCQGRYQVLFZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948325
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114906672
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999243
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946702
1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999166

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 107946163) is 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCc1cc(CC(NC)c2ccc(Br)cc2Br)n(C)n1.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is CRNCCQGRYQVLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3/c1-4-11-8-12(20(3)19-11)9-15(18-2)13-6-5-10(16)7-14(13)17/h5-8,15,18H,4,9H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 401.15 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 107946163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).