1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

C17H24BrN3 — CID 105001613

IUPAC1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)cc2Br)n(CC)n1
InChIInChI=1S/C17H24BrN3/c1-5-13-10-14(21(6-2)20-13)11-17(19-4)15-8-7-12(3)9-16(15)18/h7-10,17,19H,5-6,11H2,1-4H3
InChIKeyOFMRQDSSDWKBQL-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105001613) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
PubChem CID105001613
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)cc2Br)n(CC)n1
InChIInChI=1S/C17H24BrN3/c1-5-13-10-14(21(6-2)20-13)11-17(19-4)15-8-7-12(3)9-16(15)18/h7-10,17,19H,5-6,11H2,1-4H3
InChIKeyOFMRQDSSDWKBQL-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105161681
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001665
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
1-(2-bromo-4-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034943

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (CID 105001613) is 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is CCc1cc(CC(NC)c2ccc(C)cc2Br)n(CC)n1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is OFMRQDSSDWKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-5-13-10-14(21(6-2)20-13)11-17(19-4)15-8-7-12(3)9-16(15)18/h7-10,17,19H,5-6,11H2,1-4H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 350.30 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105001613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).