2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine

C15H18Br2FN3 — CID 104994455

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccc(Br)c(F)c2)c1Br
InChIInChI=1S/C15H18Br2FN3/c1-4-12-15(17)14(21(3)20-12)8-13(19-2)9-5-6-10(16)11(18)7-9/h5-7,13,19H,4,8H2,1-3H3
InChIKeyQWIRCYRHROPKKK-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine (PubChem CID 104994455) has the molecular formula C15H18Br2FN3 and a molecular weight of 419.14 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
PubChem CID104994455
Molecular FormulaC15H18Br2FN3
Molecular Weight419.14 g/mol
Exact Mass416.99
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
SMILESCCc1nn(C)c(CC(NC)c2ccc(Br)c(F)c2)c1Br
InChIInChI=1S/C15H18Br2FN3/c1-4-12-15(17)14(21(3)20-12)8-13(19-2)9-5-6-10(16)11(18)7-9/h5-7,13,19H,4,8H2,1-3H3
InChIKeyQWIRCYRHROPKKK-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755458
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157592
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946095
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 115567182
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 104994410
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104994528
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)ethanone
CID 114978073

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine (CID 104994455) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine is CCc1nn(C)c(CC(NC)c2ccc(Br)c(F)c2)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine?
The InChIKey is QWIRCYRHROPKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2FN3/c1-4-12-15(17)14(21(3)20-12)8-13(19-2)9-5-6-10(16)11(18)7-9/h5-7,13,19H,4,8H2,1-3H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine has a molecular weight of 419.14 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 104994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).